Molecule

ID:62079

General Information
Structure
Molecular Formula
C₁₃H₁₉ClN₂
Molecular Mass
238.75636
Exact Mass
238.1236763
Charge
0
InChI
InChI=1S/C13H19ClN2/c1-10(2)16-7-4-11(5-8-16)12-3-6-15-13(14)9-12/h3,6,9-11H,4-5,7-8H2,1-2H3
InChIKey
BJYQHAGJVAJTJC-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCC(CC1)c1ccnc(c1)Cl)C
Isomeric Smiles
N1(CCC(c2cc(ncc2)Cl)CC1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.49080327
LogD (pH = 7.4)
0.92458105
Log P
2.8412912
Molar Refractivity
69.6503
Polarizability
26.806435
Polar Surface Area
16.13
Rotatable Bonds
2
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
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References
Bioactivity
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