Molecule

ID:66361

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀FN
Molecular Mass
139.1701032
Exact Mass
139.07972755
Charge
0
InChI
InChI=1S/C8H10FN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
InChIKey
ZXWCKKSSCIFVBT-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc(c1)F
Isomeric Smiles
N(C)Cc1cc(ccc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.4818126
LogD (pH = 7.4)
-0.30750492
Log P
1.6742966
Molar Refractivity
39.5224
Polarizability
15.180906
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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