Chemical ID: 6651239

c1ccc2c(c1)C(=CC(=O)C2=O)Nc3ccc(cc3)C(=O)NCC(=O)O
Chemical ID:
6651239
Name [?]:
2-[4-[(3,4-dioxo-1-naphthyl)amino]benzoyl]aminoacetic acid
SMILES [?]:
c1ccc2c(c1)C(=CC(=O)C2=O)Nc3ccc(cc3)C(=O)NCC(=O)O
InChi [?]:
InChI=1/C19H14N2O5/c22-16-9-15(13-3-1-2-4-14(13)18(16)25)21-12-7-5-11(6-8-12)19(26)20-10-17(23)24/h1-9,21H,10H2,(H,20,26)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,18,15,19,8,23,17,14,5,4,7,9,24,11,20,22,13,10,25,26,12,21/E:(5,6)(7,8)(23,24)/rA:26nCCCCCCCCCOCONCCCCCCCONCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;d11;s7;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.17652
Area:555.057
Solvation:-4.69991
Coulombic:-77.3026
Bond Count [?]
All:28
Single:17
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:350.325
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.76
LogP (Chemaxon):0.89

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