Chemical ID: 6138136

Cc1cccc(c1C)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
Chemical ID:
6138136
Name [?]:
4-chloro-N-(2,3-dimethylphenyl)-3-nitro-benzamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C15H13ClN2O3/c1-9-4-3-5-13(10(9)2)17-15(19)11-6-7-12(16)14(8-11)18(20)21/h3-8H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,13,14,17,2,7,12,15,6,16,10,21,9,18,11,19,20/E:(20,21)/CRV:18.5/rA:21nCCCCCCCCNCOCCCCCCN+OO-Cl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.18618
Area:485.692
Solvation:-7.95611
Coulombic:-31.9313
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.728
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.05
LogP (Chemaxon):3.86

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