Molecule

ID:48691

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂
Molecular Mass
224.72978
Exact Mass
224.10802623
Charge
0
InChI
InChI=1S/C12H17ClN2/c1-15(10-6-3-2-4-7-10)12-9-5-8-11(13)14-12/h5,8-10H,2-4,6-7H2,1H3
InChIKey
YBJOPZJADJTHJX-UHFFFAOYSA-N
Canonic Smiles
CN(c1cccc(n1)Cl)C1CCCCC1
Isomeric Smiles
n1c(N(C2CCCCC2)C)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0811167
LogD (pH = 7.4)
4.0815616
Log P
4.0815673
Molar Refractivity
65.5235
Polarizability
24.656826
Polar Surface Area
16.13
Rotatable Bonds
2
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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