Chemical ID: 4388942

c1cc(ccc1C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)Cl
Chemical ID:
4388942
Name [?]:
(4-chloro-3-nitro-phenyl)-(4-chlorophenyl)-methanone
SMILES [?]:
c1cc(ccc1C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)Cl
InChi [?]:
InChI=1/C13H7Cl2NO3/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(7-9)16(18)19/h1-7H
InChi Info:
AuxInfo=1/0/N:1,5,10,2,4,11,14,6,9,3,12,13,7,19,18,15,8,16,17/E:(1,2)(4,5)(18,19)/CRV:16.5/rA:19nCCCCCCCOCCCCCCN+OO-ClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;d15;s15;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H7Cl2NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:3.75964
Area:463.04
Solvation:-7.81636
Coulombic:-20.5556
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.105
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.59
LogP (Chemaxon):4.26

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Descriptor Annotations

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