Molecule

ID:62093

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂
Molecular Mass
238.75636
Exact Mass
238.1236763
Charge
0
InChI
InChI=1S/C13H19ClN2/c1-16-9-3-2-4-12(16)6-5-11-7-8-15-13(14)10-11/h7-8,10,12H,2-6,9H2,1H3
InChIKey
AWMNAXUFBXSERS-UHFFFAOYSA-N
Canonic Smiles
CN1CCCCC1CCc1ccnc(c1)Cl
Isomeric Smiles
N1(C(CCc2cc(ncc2)Cl)CCCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.1889429
LogD (pH = 7.4)
1.1805304
Log P
3.164555
Molar Refractivity
69.4781
Polarizability
26.80725
Polar Surface Area
16.13
Rotatable Bonds
3
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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