Molecule

ID:34910

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂
Molecular Mass
238.75636
Exact Mass
238.1236763
Charge
0
InChI
InChI=1S/C13H19ClN2/c1-16(13-5-7-15-8-6-13)10-11-3-2-4-12(14)9-11/h2-4,9,13,15H,5-8,10H2,1H3
InChIKey
JSVVRGHGFPQDNT-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCNCC1)Cc1cccc(c1)Cl
Isomeric Smiles
N(Cc1cc(Cl)ccc1)(C1CCNCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.247761
LogD (pH = 7.4)
-1.0518098
Log P
2.1624455
Molar Refractivity
69.5619
Polarizability
27.408072
Polar Surface Area
15.27
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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