Molecule

ID:129409

General Information
Structure
Molecular Formula
C₁₇H₁₈ClNO
Molecular Mass
287.78392
Exact Mass
287.10769188
Charge
0
InChI
InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
InChIKey
GOTMKOSCLKVOGG-UHFFFAOYSA-N
Canonic Smiles
CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O
Isomeric Smiles
CN1CCc2cc(c(cc2C(C1)c1ccccc1)O)Cl
Calculated Properties
JChem
Acid pKa
7.7272134
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1550401
LogD (pH = 7.4)
2.7690248
Log P
3.0575705
Molar Refractivity
84.0176
Polarizability
32.255955
Polar Surface Area
23.47
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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