Molecule

ID:48683

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂
Molecular Mass
210.7032
Exact Mass
210.09237617
Charge
0
InChI
InChI=1S/C11H15ClN2/c1-9-4-3-7-14(8-9)11-6-2-5-10(12)13-11/h2,5-6,9H,3-4,7-8H2,1H3
InChIKey
QEQOPCURLFSIEM-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)c1cccc(n1)Cl
Isomeric Smiles
n1c(N2CC(CCC2)C)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.497188
LogD (pH = 7.4)
3.49763
Log P
3.4976356
Molar Refractivity
61.1229
Polarizability
22.81612
Polar Surface Area
16.13
Rotatable Bonds
1
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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