Chemical ID: 6513891

c1ccc2c(c1)cccc2Nc3ccc(cc3C(=O)O)[N+](=O)[O-]
Chemical ID:
6513891
Name [?]:
2-(1-naphthylamino)-5-nitro-benzoic acid
SMILES [?]:
c1ccc2c(c1)cccc2Nc3ccc(cc3C(=O)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H12N2O4/c20-17(21)14-10-12(19(22)23)8-9-16(14)18-15-7-3-5-11-4-1-2-6-13(11)15/h1-10,18H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,14,13,16,5,15,4,17,10,12,18,11,21,19,20,22,23/E:(20,21)(22,23)/CRV:19.5/rA:23nCCCCCCCCCCNCCCCCCCOON+OO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s15;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:3.98422
Area:483.247
Solvation:-8.09694
Coulombic:-50.0429
Bond Count [?]
All:25
Single:15
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.288
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.53
LogP (Chemaxon):4.42

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Descriptor Annotations

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