Molecule

ID:48694

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂
Molecular Mass
238.75636
Exact Mass
238.1236763
Charge
0
InChI
InChI=1S/C13H19ClN2/c1-2-16(11-7-4-3-5-8-11)13-10-6-9-12(14)15-13/h6,9-11H,2-5,7-8H2,1H3
InChIKey
PGBHCFSYLOPPGH-UHFFFAOYSA-N
Canonic Smiles
CCN(c1cccc(n1)Cl)C1CCCCC1
Isomeric Smiles
n1c(N(C2CCCCC2)CC)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.437957
LogD (pH = 7.4)
4.4383698
Log P
4.438375
Molar Refractivity
70.2721
Polarizability
26.498219
Polar Surface Area
16.13
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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