Chemical ID: 5027181

c1ccc(c(c1)C(=O)c2cccc(c2)[N+](=O)[O-])C(=O)O
Chemical ID:
5027181
Name [?]:
2-(3-nitrobenzoyl)benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)c2cccc(c2)[N+](=O)[O-])C(=O)O
InChi [?]:
InChI=1/C14H9NO5/c16-13(9-4-3-5-10(8-9)15(19)20)11-6-1-2-7-12(11)14(17)18/h1-8H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,6,3,14,9,13,5,4,7,18,15,8,19,20,16,17/E:(17,18)(19,20)/CRV:15.5/rA:20nCCCCCCCOCCCCCCN+OO-COO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;d9s13;s13;d15;s15;s4;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9NO5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:2.71052
Area:442.564
Solvation:-8.35358
Coulombic:-48.1271
Bond Count [?]
All:21
Single:12
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:271.225
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.96
LogP (Chemaxon):2.74

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Descriptor Annotations

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