Molecule

ID:15695

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)16-6-3-9-18(12-16)11-13-7-8-14-4-1-2-5-15(14)10-13;/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2,(H,19,20);1H
InChIKey
FKMHDONGVLXODM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)Cc1ccc2c(c1)cccc2.Cl
Isomeric Smiles
Cl.c12c(cc(cc1)CN1CC(CCC1)C(=O)O)cccc2
Calculated Properties
JChem
Acid pKa
3.7439659
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3973316
LogD (pH = 7.4)
0.4012356
Log P
0.40250352
Molar Refractivity
79.2788
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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