Molecule

ID:64960

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀ClNO
Molecular Mass
277.7891
Exact Mass
277.12334195
Charge
0
InChI
InChI=1S/C16H19NO.ClH/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11,16-17H,12-13H2,1H3;1H
InChIKey
OARUOQLHKTZEIM-UHFFFAOYSA-N
Canonic Smiles
CNCCOC(c1ccccc1)c1ccccc1.Cl
Isomeric Smiles
C(OCCNC)(c1ccccc1)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.07391984
LogD (pH = 7.4)
1.0289556
Log P
3.2688594
Molar Refractivity
74.6323
Polarizability
29.558489
Polar Surface Area
21.26
Rotatable Bonds
6
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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