Molecule

ID:11597

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁ClN₂
Molecular Mass
240.77224
Exact Mass
240.13932636
Charge
0
InChI
InChI=1S/C13H20N2.ClH/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15;/h1-3,5-6,14H,4,7-12H2;1H
InChIKey
CSEXKCDPFLQHQP-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)CCCc1ccccc1.Cl
Isomeric Smiles
C1N(CCNC1)CCCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2790056
LogD (pH = 7.4)
0.07407269
Log P
2.1119442
Molar Refractivity
64.7121
Polarizability
25.522984
Polar Surface Area
15.27
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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