Chemical ID: 6513890

COC(=O)c1ccc(cc1)Nc2ccc(cc2C(=O)O)[N+](=O)[O-]
Chemical ID:
6513890
Name [?]:
2-(4-methoxycarbonylphenyl)amino-5-nitro-benzoic acid
SMILES [?]:
COC(=O)c1ccc(cc1)Nc2ccc(cc2C(=O)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H12N2O6/c1-23-15(20)9-2-4-10(5-3-9)16-13-7-6-11(17(21)22)8-12(13)14(18)19/h2-8,16H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,10,7,9,14,13,16,5,8,15,17,12,18,3,11,21,19,20,4,22,23,2/E:(2,3)(4,5)(18,19)(21,22)/CRV:17.5/rA:23nCOCOCCCCCCNCCCCCCCOON+OO-/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s15;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2O6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:3.86609
Area:507.371
Solvation:-8.81818
Coulombic:-67.9811
Bond Count [?]
All:24
Single:15
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:316.266
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.2
LogP (Chemaxon):2.97

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