Molecule

ID:62089

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂
Molecular Mass
238.75636
Exact Mass
238.1236763
Charge
0
InChI
InChI=1S/C13H19ClN2/c1-16-7-2-3-11(5-8-16)9-12-4-6-15-13(14)10-12/h4,6,10-11H,2-3,5,7-9H2,1H3
InChIKey
RJCUSLGPILMSIB-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(CC1)Cc1ccnc(c1)Cl
Isomeric Smiles
N1(CCC(Cc2cc(ncc2)Cl)CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.46297354
LogD (pH = 7.4)
0.6936547
Log P
2.9570453
Molar Refractivity
69.6849
Polarizability
26.807175
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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