Molecule

ID:132737

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈ClNO₂
Molecular Mass
303.78332
Exact Mass
303.1026065
Charge
0
InChI
InChI=1S/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H/t13-;/m0./s1
InChIKey
SKYZYDSNJIOXRL-ZOWNYOTGSA-N
Canonic Smiles
CN1CCc2c3[C@@H]1Cc1ccc(c(c1c3ccc2)O)O.Cl
Isomeric Smiles
CN1CCc2cccc3c2[C@@H]1Cc1c3c(c(cc1)O)O.Cl
Calculated Properties
JChem
Acid pKa
9.259065
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.79732925
LogD (pH = 7.4)
2.5251532
Log P
2.8666353
Molar Refractivity
79.9881
Polarizability
31.638338
Polar Surface Area
43.7
Rotatable Bonds
0
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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