Chemical ID: 4315746

Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)O
Chemical ID:
4315746
Name [?]:
4-methyl-3-(3-nitrobenzoyl)amino-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)O
InChi [?]:
InChI=1/C15H12N2O5/c1-9-5-6-11(15(19)20)8-13(9)16-14(18)10-3-2-4-12(7-10)17(21)22/h2-8H,1H3,(H,16,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,3,4,16,6,2,11,5,15,7,9,20,8,17,10,21,22,18,19/E:(19,20)(21,22)/CRV:17.5/rA:22nCCCCCCCNCOCCCCCCN+OO-COO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;s17;s5;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2O5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:3.63638
Area:495.849
Solvation:-8.75985
Coulombic:-59.5444
Bond Count [?]
All:23
Single:14
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.266
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.6
LogP (Chemaxon):2.39

Name Annotations

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Descriptor Annotations

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