UNII-N66EFC6QQQ
C₁₄H₉Cl₅·354.500 g/mol·CID 45356237
IUPAC: 1-chloro-2-[(1S)-2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
Also known as: N66EFC6QQQ, 58633-27-5, (+-)-o,p'-DDT, o,p'-DDT, (+-)-, (+)-O,p'-ddt (+10 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
354.500g/mol
Exact Mass
353.911739Da
Monoisotopic Mass
351.914689Da
XLogP
6.7
Polar Surface Area
0.0Ų
Complexity
280
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
0
Rotatable Bonds
2
Heavy Atoms
19
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 354.5 g/mol
MW ≤ 500
✗ 6.7
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 0
H-bond acceptors ≤ 10
1 violation — may still have acceptable bioavailability
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H/t13-/m0/s1
Isomers8 compounds with formula C₁₄H₉Cl₅
1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
CID 3036 · 354.5 g/mol
1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
CID 13089 · 354.5 g/mol
1-chloro-3-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
CID 20328 · 354.5 g/mol
1-chloro-2-[2,2,2-trichloro-1-(2-chlorophenyl)ethyl]benzene
CID 154395 · 354.5 g/mol
1-chloro-2,3,5,6-tetradeuterio-4-[2,2,2-trichloro-1-(4-chloro-2,3,5,6-tetradeuteriophenyl)ethyl]benzene
CID 12358559 · 362.5 g/mol
2,4-dichloro-1-(2,2,2-trichloro-1-phenylethyl)benzene
CID 13829181 · 354.5 g/mol
1-chloro-3-[2,2,2-trichloro-1-(3-chlorophenyl)ethyl]benzene
CID 36323 · 354.5 g/mol
1-chloro-2-[(1R)-2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
CID 76962563 · 354.5 g/mol