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Chemical ID: 4758915
Chemical ID:
4758915
Name [?]:
1-hydroxy-N-phenyl-naphthalene-2-carboxamide
SMILES [?]:
c1ccc(cc1)NC(=O)c2ccc3ccccc3c2O
InChi [?]:
InChI=1/C17H13NO2/c19-16-14-9-5-4-6-12(14)10-11-15(16)17(20)18-13-7-2-1-3-8-13/h1-11,19H,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,16,14,3,5,17,12,11,13,4,18,10,19,8,7,20,9/E:(2,3)(7,8)/rA:20nCCCCCCNCOCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0149 |
Area: | 444.692 |
Solvation: | -3.10241 |
Coulombic: | -39.3633 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 263.291 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.28 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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