Chemical ID: 6393692

Cc1ccc(cc1Cl)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
Chemical ID:
6393692
Name [?]:
4-chloro-N-(3-chloro-4-methyl-phenyl)-3-nitro-benzamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C14H10Cl2N2O3/c1-8-2-4-10(7-12(8)16)17-14(19)9-3-5-11(15)13(6-9)18(20)21/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,13,4,14,17,6,2,12,5,15,7,16,10,21,8,9,18,11,19,20/E:(20,21)/CRV:18.5/rA:21nCCCCCCCClNCOCCCCCCN+OO-Cl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Cl2N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.52108
Area:501.428
Solvation:-8.01461
Coulombic:-32.1338
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:325.146
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.23
LogP (Chemaxon):4.56

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