Molecule

ID:21084

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H19NO.ClH/c1-2-4-14(5-3-1)12-15-6-8-16(9-7-15)19-17-10-11-18-13-17;/h1-9,17-18H,10-13H2;1H
InChIKey
CDIAAVDMJKAOHM-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)Oc1ccc(cc1)Cc1ccccc1.Cl
Isomeric Smiles
N1CCC(Oc2ccc(Cc3ccccc3)cc2)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.26055333
LogD (pH = 7.4)
0.7421316
Log P
3.491167
Molar Refractivity
77.5494
Polarizability
30.57542
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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