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Chemical ID: 6525129
Chemical ID:
6525129
Name [?]:
3-fluoro-N-(3-hydroxypropyl)benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)NCCCO
InChi [?]:
InChI=1/C10H12FNO2/c11-9-4-1-3-8(7-9)10(14)12-5-2-6-13/h1,3-4,7,13H,2,5-6H2,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,12,2,6,11,13,4,3,5,8,7,10,14,9/rA:14nCCCCCCFCONCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12FNO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.87265 |
Area: | 381.197 |
Solvation: | -3.65727 |
Coulombic: | -42.1257 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 197.206 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.24 |
LogP (Chemaxon): | 0.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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