Molecule

ID:48956

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃ClN₂O
Molecular Mass
282.80892
Exact Mass
282.14989105
Charge
0
InChI
InChI=1S/C15H22N2O.ClH/c1-2-17(12-13-8-4-3-5-9-13)15(18)14-10-6-7-11-16-14;/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3;1H
InChIKey
SYOOQYLZQHDYGN-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C1CCCCN1)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)CC)C1NCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9407271
LogD (pH = 7.4)
0.57070464
Log P
2.0691178
Molar Refractivity
73.6421
Polarizability
28.916986
Polar Surface Area
32.34
Rotatable Bonds
4
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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