Chemical ID: 6935073

Cc1ccc(c(c1)NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-])C
Chemical ID:
6935073
Name [?]:
4-chloro-N-(2,5-dimethylphenyl)-3,5-dinitro-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-])C
InChi [?]:
InChI=1/C15H12ClN3O5/c1-8-3-4-9(2)11(5-8)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:1,24,3,4,7,12,16,2,5,11,6,13,15,14,9,20,8,21,17,10,22,23,18,19/E:(6,7)(12,13)(18,19)(21,22,23,24)/CRV:18.5,19.5/rA:24nCCCCCCCNCOCCCCCCN+OO-ClN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;s17;s14;s13;d21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClN3O5
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-2.81523
Area:523.978
Solvation:-15.9147
Coulombic:-34.6917
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:3.82
LogP (Chemaxon):3.81

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue