Chemical ID: 6935224

Cc1cccc(c1NC(=O)c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])C
Chemical ID:
6935224
Name [?]:
N-(2,6-dimethylphenyl)-2-methyl-3,5-dinitro-benzamide
SMILES [?]:
Cc1cccc(c1NC(=O)c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H15N3O5/c1-9-5-4-6-10(2)15(9)17-16(20)13-7-12(18(21)22)8-14(11(13)3)19(23)24/h4-8H,1-3H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,24,17,4,3,5,12,14,2,6,16,13,11,15,7,9,8,21,18,10,22,23,19,20/E:(1,2)(5,6)(9,10)(21,22)(23,24)/CRV:18.5,19.5/rA:24nCCCCCCCNCOCCCCCCCN+OO-N+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s15;d18;s18;s13;d21;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N3O5
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-1.24979
Area:512.663
Solvation:-14.0664
Coulombic:-37.9898
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:3.21
LogP (Chemaxon):3.11

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Descriptor Annotations

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