Molecule

ID:30431

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClN₂
Molecular Mass
250.76706
Exact Mass
250.1236763
Charge
0
InChI
InChI=1S/C14H18N2.ClH/c1-16-11-5-8-14(16)12-15-10-9-13-6-3-2-4-7-13;/h2-8,11,15H,9-10,12H2,1H3;1H
InChIKey
XKQOSNYYBHXUOL-UHFFFAOYSA-N
Canonic Smiles
Cn1cccc1CNCCc1ccccc1.Cl
Isomeric Smiles
n1(c(ccc1)CNCCc1ccccc1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.38303745
LogD (pH = 7.4)
0.8108474
Log P
2.7682903
Molar Refractivity
68.2066
Polarizability
26.419216
Polar Surface Area
16.96
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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