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Chemical ID: 7006696
Chemical ID:
7006696
Name [?]:
4-[(3-hydroxy-2-naphthyl)carbonylamino]benzoic acid
SMILES [?]:
c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)C(=O)O)O
InChi [?]:
InChI=1/C18H13NO4/c20-16-10-13-4-2-1-3-12(13)9-15(16)17(21)19-14-7-5-11(6-8-14)18(22)23/h1-10,20H,(H,19,21)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,16,18,15,19,8,5,17,9,4,14,7,6,11,20,13,23,12,21,22/E:(5,6)(7,8)(22,23)/rA:23nCCCCCCCCCCCONCCCCCCCOOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13NO4 |
All Atoms: | 36 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.42454 |
Area: | 499.316 |
Solvation: | -4.05835 |
Coulombic: | -65.4305 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 307.3 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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