Molecule

ID:30384

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂
Molecular Mass
224.72978
Exact Mass
224.10802623
Charge
0
InChI
InChI=1S/C12H17ClN2/c1-9-5-7-15(8-6-9)12-10(13)3-2-4-11(12)14/h2-4,9H,5-8,14H2,1H3
InChIKey
SIANBLRPQFBPBJ-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1c(N)cccc1Cl
Isomeric Smiles
N1(c2c(N)cccc2Cl)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.990089
LogD (pH = 7.4)
2.9937468
Log P
2.9937937
Molar Refractivity
66.6824
Polarizability
24.793835
Polar Surface Area
29.26
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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