Molecule
ID:124957
General Information
Molecular Formula
C₁₂H₁₇ClN₂
Molecular Mass
224.72978
Exact Mass
224.10802623
Charge
0
InChI
InChI=1S/C12H17ClN2/c13-11-3-1-2-10(8-11)9-15-6-4-12(14)5-7-15/h1-3,8,12H,4-7,9,14H2
InChIKey
JOJVQMGXUOSEMA-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)Cc1cccc(c1)Cl
Isomeric Smiles
N1(Cc2cc(Cl)ccc2)CCC(CC1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.784609
LogD (pH = 7.4)
-1.1162568
Log P
1.7298651
Molar Refractivity
64.7873
Polarizability
25.563723
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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