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Chemical ID: 5605728
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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Experimental Annotations
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Descriptor Annotations
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