Chemical ID: 6393059

c1cc(ccc1C(=O)c2c(ccc(c2[N+](=O)[O-])Cl)Cl)Cl
Chemical ID:
6393059
Name [?]:
(4-chlorophenyl)-(3,6-dichloro-2-nitro-phenyl)-methanone
SMILES [?]:
c1cc(ccc1C(=O)c2c(ccc(c2[N+](=O)[O-])Cl)Cl)Cl
InChi [?]:
InChI=1/C13H6Cl3NO3/c14-8-3-1-7(2-4-8)13(18)11-9(15)5-6-10(16)12(11)17(19)20/h1-6H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,12,6,3,10,13,9,14,7,20,19,18,15,8,16,17/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:20nCCCCCCCOCCCCCCN+OO-ClClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d15;s15;s13;s10;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H6Cl3NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.59942
Area:479.762
Solvation:-8.39463
Coulombic:-18.6527
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:330.55
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.21
LogP (Chemaxon):4.78

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Descriptor Annotations

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