Molecule

ID:19486

General Information
Structure
Molecular Formula
C₁₇H₂₀FN
Molecular Mass
257.3458032
Exact Mass
257.15797787
Charge
0
InChI
InChI=1S/C17H20FN/c1-17(2,3)15-7-4-12(5-8-15)13-6-9-16(18)14(10-13)11-19/h4-10H,11,19H2,1-3H3
InChIKey
VSZGVDYLZBWRFJ-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(ccc1F)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
c1(cc(c2ccc(C(C)(C)C)cc2)ccc1F)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.537448
LogD (pH = 7.4)
2.8719296
Log P
4.4339976
Molar Refractivity
78.5499
Polarizability
31.646301
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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