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Chemical ID: 7498989
Chemical ID:
7498989
Name [?]:
N-(4-allyloxyphenyl)-4-fluoro-benzamide
SMILES [?]:
C=CCOc1ccc(cc1)NC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C16H14FNO2/c1-2-11-20-15-9-7-14(8-10-15)18-16(19)12-3-5-13(17)6-4-12/h2-10H,1,11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,15,19,16,18,7,9,6,10,3,14,17,8,5,12,20,11,13,4/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCCOCCCCCCNCOCCCCCCF/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14FNO2 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.75598 |
Area: | 471.786 |
Solvation: | -4.03868 |
Coulombic: | -34.6021 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 271.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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