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Chemical ID: 4989788
Chemical ID:
4989788
Name [?]:
N-(4-fluorophenyl)-3-hydroxy-naphthalene-2-carboxamide
SMILES [?]:
c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)F)O
InChi [?]:
InChI=1/C17H12FNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,16,18,15,19,8,5,9,4,17,14,7,6,11,20,13,21,12/E:(5,6)(7,8)/rA:21nCCCCCCCCCCCONCCCCCCFO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s6;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12FNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.30548 |
Area: | 453.122 |
Solvation: | -4.02257 |
Coulombic: | -41.7444 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 281.281 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.44 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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