Chemical ID: 5758484

Cc1cc(cc(c1N)C(=O)O)[N+](=O)[O-]
Chemical ID:
5758484
Name [?]:
2-amino-3-methyl-5-nitro-benzoic acid
SMILES [?]:
Cc1cc(cc(c1N)C(=O)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H8N2O4/c1-4-2-5(10(13)14)3-6(7(4)9)8(11)12/h2-3H,9H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,5,2,4,6,7,9,8,12,10,11,13,14/E:(11,12)(13,14)/CRV:10.5/rA:14nCCCCCCCNCOON+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s4;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:1.62929
Area:351.478
Solvation:-7.15766
Coulombic:-53.8798
Bond Count [?]
All:14
Single:9
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:196.16
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.46
LogP (Chemaxon):1.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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