Molecule

ID:15711

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO₂
Molecular Mass
305.7992
Exact Mass
305.11825657
Charge
0
InChI
InChI=1S/C17H19NO2.ClH/c19-17(20)15-7-9-18(10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13;/h1-6,11,15H,7-10,12H2,(H,19,20);1H
InChIKey
MAUWVPJBWDRCDZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN(CC1)Cc1ccc2c(c1)cccc2.Cl
Isomeric Smiles
C1C(CCN(C1)Cc1ccc2c(c1)cccc2)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
4.201952
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.23096398
LogD (pH = 7.4)
0.24500526
Log P
0.24672092
Molar Refractivity
79.4328
Polarizability
32.063652
Polar Surface Area
40.54
Rotatable Bonds
3
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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