Molecule

ID:15824

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃FN₂
Molecular Mass
250.3549232
Exact Mass
250.18452697
Charge
0
InChI
InChI=1S/C15H23FN2/c1-17-12-14-6-9-18(10-7-14)8-5-13-3-2-4-15(16)11-13/h2-4,11,14,17H,5-10,12H2,1H3
InChIKey
KEYXGSGLRTYLPN-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCN(CC1)CCc1cccc(c1)F
Isomeric Smiles
C1(CCN(CC1)CCc1cccc(c1)F)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.920775
LogD (pH = 7.4)
-1.9893401
Log P
2.4503646
Molar Refractivity
74.5465
Polarizability
28.801079
Polar Surface Area
15.27
Rotatable Bonds
5
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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