Molecule

ID:30442

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₂
Molecular Mass
248.75118
Exact Mass
248.10802623
Charge
0
InChI
InChI=1S/C14H16N2.ClH/c1-2-5-13(6-3-1)8-10-16-12-14-7-4-9-15-11-14;/h1-7,9,11,16H,8,10,12H2;1H
InChIKey
WTROJZJURULLHY-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCNCc1cccnc1.Cl
Isomeric Smiles
n1cc(CNCCc2ccccc2)ccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8374757
LogD (pH = 7.4)
0.3091219
Log P
2.3270566
Molar Refractivity
66.5167
Polarizability
26.054947
Polar Surface Area
24.92
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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