Molecule

ID:103933

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₂
Molecular Mass
248.75118
Exact Mass
248.10802623
Charge
0
InChI
InChI=1S/C14H16N2.ClH/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16;/h1-7,15H,8-11H2;1H
InChIKey
ZYVYPNZFOCZLEM-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1cccc2c1cccc2.Cl
Isomeric Smiles
Cl.C1CN(CCN1)c1c2ccccc2ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.46359554
LogD (pH = 7.4)
1.0621687
Log P
2.534838
Molar Refractivity
67.6922
Polarizability
27.261673
Polar Surface Area
15.27
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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