Chemical ID: 5605728

c1ccc(c(c1)NC(=O)c2ccc(cc2)N)[N+](=O)[O-]
Chemical ID:
5605728
Name [?]:
4-amino-N-(2-nitrophenyl)-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(cc2)N)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H11N3O3/c14-10-7-5-9(6-8-10)13(17)15-11-3-1-2-4-12(11)16(18)19/h1-8H,14H2,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,15,12,14,10,13,5,4,8,16,7,17,9,18,19/E:(5,6)(7,8)(18,19)/CRV:16.5/rA:19nCCCCCCNCOCCCCCCNN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s4;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11N3O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.74869
Area:431.933
Solvation:-6.04963
Coulombic:-52.6225
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:257.245
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:2.59
LogP (Chemaxon):2.27

Name Annotations

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Descriptor Annotations

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