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Chemical ID: 4315018
Chemical ID:
4315018
Name [?]:
3-fluoro-N-(4-hydroxyphenyl)-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)Nc2ccc(cc2)O
InChi [?]:
InChI=1/C13H10FNO2/c14-10-3-1-2-9(8-10)13(17)15-11-4-6-12(16)7-5-11/h1-8,16H,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,16,13,15,4,3,5,11,14,8,7,10,17,9/E:(4,5)(6,7)/rA:17nCCCCCCFCONCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10FNO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.58187 |
Area: | 401.664 |
Solvation: | -3.45974 |
Coulombic: | -41.4038 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 231.222 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.32 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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