Molecule

ID:129442

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClN
Molecular Mass
251.79488
Exact Mass
251.14407739
Charge
0
InChI
InChI=1S/C15H22ClN/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11,14H,3,8-10,17H2,1-2H3
InChIKey
WQSACWZKKZPCHN-UHFFFAOYSA-N
Canonic Smiles
NC(C1(CCC1)c1ccc(cc1)Cl)CC(C)C
Isomeric Smiles
c1cc(Cl)ccc1C1(CCC1)C(N)CC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3792117
LogD (pH = 7.4)
2.1239102
Log P
4.386222
Molar Refractivity
73.8521
Polarizability
29.493738
Polar Surface Area
26.02
Rotatable Bonds
4
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
No Data Available
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Molecule Details
References
Bioactivity
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