Molecule

ID:13469

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅FN₂
Molecular Mass
264.3815032
Exact Mass
264.20017703
Charge
0
InChI
InChI=1S/C16H25FN2/c1-15(2)9-14(10-16(3,4)19-15)18-11-12-5-7-13(17)8-6-12/h5-8,14,18-19H,9-11H2,1-4H3
InChIKey
YWFUMQOAYMXYOI-UHFFFAOYSA-N
Canonic Smiles
CC1(C)CC(NCc2ccc(cc2)F)CC(N1)(C)C
Isomeric Smiles
C1(NCc2ccc(cc2)F)CC(NC(C1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.9663007
LogD (pH = 7.4)
-0.9545217
Log P
2.7123582
Molar Refractivity
77.7928
Polarizability
30.720211
Polar Surface Area
24.06
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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