Molecule

ID:55366

General Information
Structure
Molecular Formula
C₁₄H₂₄ClN
Molecular Mass
241.80006
Exact Mass
241.15972745
Charge
0
InChI
InChI=1S/C14H23N.ClH/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;/h7-9H,15H2,1-6H3;1H
InChIKey
DBCJHLPTWJCXLY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C(C)(C)C)C(C)(C)C.Cl
Isomeric Smiles
c1c(cc(c(c1)N)C(C)(C)C)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.1992097
LogD (pH = 7.4)
4.2339706
Log P
4.234432
Molar Refractivity
68.0902
Polarizability
26.104942
Polar Surface Area
26.02
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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