Molecule

ID:47273

General Information
Structure
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-4-16(2,3)13-7-9-14(10-8-13)18-15-6-5-11-17-12-15;/h7-10,15,17H,4-6,11-12H2,1-3H3;1H
InChIKey
KFUNUTIGEUWVBL-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OC1CCCNC1)(C)C.Cl
Isomeric Smiles
C(c1ccc(OC2CNCCC2)cc1)(CC)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.73685527
LogD (pH = 7.4)
1.8495388
Log P
3.9063606
Molar Refractivity
75.7237
Polarizability
30.172531
Polar Surface Area
21.26
Rotatable Bonds
4
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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