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Chemical ID: 6651239
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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