Molecule

ID:30320

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅ClN₂
Molecular Mass
280.8361
Exact Mass
280.17062649
Charge
0
InChI
InChI=1S/C16H24N2.ClH/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-12-10-17-11-13-18;/h1-5,15-17H,6-13H2;1H
InChIKey
POOYWYOQFKXFTR-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)C1CCC(CC1)c1ccccc1.Cl
Isomeric Smiles
N1(C2CCC(CC2)c2ccccc2)CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.51539415
LogD (pH = 7.4)
0.47677892
Log P
2.8743348
Molar Refractivity
76.4013
Polarizability
30.319866
Polar Surface Area
15.27
Rotatable Bonds
2
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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