Chemical ID: 6377106

Cc1ccc(c(c1)Br)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
Chemical ID:
6377106
Name [?]:
N-(2-bromo-4-methyl-phenyl)-4-chloro-3-nitro-benzamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C14H10BrClN2O3/c1-8-2-5-12(10(15)6-8)17-14(19)9-3-4-11(16)13(7-9)18(20)21/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,4,7,17,2,12,6,15,5,16,10,8,21,9,18,11,19,20/E:(20,21)/CRV:18.5/rA:21nCCCCCCCBrNCOCCCCCCN+OO-Cl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10BrClN2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.74024
Area:496.955
Solvation:-7.68362
Coulombic:-32.3264
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:369.598
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.62
LogP (Chemaxon):4.18

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Descriptor Annotations

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