Molecule

ID:48875

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O
Molecular Mass
268.78234
Exact Mass
268.13424098
Charge
0
InChI
InChI=1S/C14H20N2O.ClH/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16;/h1,3-4,7-8,13H,2,5-6,9-11,15H2;1H
InChIKey
FSXJYWJPMIXXGR-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N1CCCCC1)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N1CCCCC1)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.82315284
LogD (pH = 7.4)
0.87083226
Log P
1.5683907
Molar Refractivity
68.8739
Polarizability
27.074112
Polar Surface Area
46.33
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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