Molecule

ID:83679

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₇ClO
Molecular Mass
306.87008
Exact Mass
306.17504316
Charge
0
InChI
InChI=1S/C19H27ClO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3
InChIKey
NCIFGTLACWBWST-UHFFFAOYSA-N
Canonic Smiles
ClC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C
Isomeric Smiles
O=C1C2(CCC3C4(C(=CCC3C2CC1)CC(CC4)Cl)C)C
Calculated Properties
JChem
Acid pKa
19.957706
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.716297
LogD (pH = 7.4)
4.716297
Log P
4.716297
Molar Refractivity
87.7099
Polarizability
34.45396
Polar Surface Area
17.07
Rotatable Bonds
0
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
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References
Bioactivity
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