Chemical ID: 6934865

Cc1ccc(cc1C)NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-]
Chemical ID:
6934865
Name [?]:
4-chloro-N-(3,4-dimethylphenyl)-3,5-dinitro-benzamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H12ClN3O5/c1-8-3-4-11(5-9(8)2)17-15(20)10-6-12(18(21)22)14(16)13(7-10)19(23)24/h3-7H,1-2H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,6,13,17,2,7,12,5,14,16,15,10,21,9,22,18,11,23,24,19,20/E:(6,7)(12,13)(18,19)(21,22,23,24)/CRV:18.5,19.5/rA:24nCCCCCCCCNCOCCCCCCN+OO-ClN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;s14;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClN3O5
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-2.88897
Area:527.856
Solvation:-16.0854
Coulombic:-34.4853
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.726
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.03
LogP (Chemaxon):4.46

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Descriptor Annotations

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