Chemical ID: 6934866

Cc1ccc(cc1C)NC(=O)c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
6934866
Name [?]:
N-(3,4-dimethylphenyl)-2-methyl-3,5-dinitro-benzamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C16H15N3O5/c1-9-4-5-12(6-10(9)2)17-16(20)14-7-13(18(21)22)8-15(11(14)3)19(23)24/h4-8H,1-3H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,8,18,3,4,6,13,15,2,7,17,5,14,12,16,10,9,22,19,11,23,24,20,21/E:(21,22)(23,24)/CRV:18.5,19.5/rA:24nCCCCCCCCNCOCCCCCCCN+OO-N+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s16;d19;s19;s14;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N3O5
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-0.86916
Area:522.252
Solvation:-13.9255
Coulombic:-37.9529
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:329.308
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.63
LogP (Chemaxon):4.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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