Molecule

ID:24229

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂
Molecular Mass
224.72978
Exact Mass
224.10802623
Charge
0
InChI
InChI=1S/C12H16N2.ClH/c1-3-6-14-9(2)7-10-8-11(13)4-5-12(10)14;/h4-5,7-8H,3,6,13H2,1-2H3;1H
InChIKey
DKFGAVWGKURYPW-UHFFFAOYSA-N
Canonic Smiles
CCCn1c(C)cc2c1ccc(c2)N.Cl
Isomeric Smiles
c12n(c(cc1cc(cc2)N)C)CCC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.536992
LogD (pH = 7.4)
2.5455396
Log P
2.5456495
Molar Refractivity
61.1639
Polarizability
23.959694
Polar Surface Area
30.95
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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