Molecule

ID:128478

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O
Molecular Mass
216.3187
Exact Mass
216.15141526
Charge
0
InChI
InChI=1S/C15H20O/c1-9(2)5-12-6-10(3)13-8-15(16)11(4)7-14(12)13/h5,7-8,10,12,16H,6H2,1-4H3/t10-,12-/m1/s1
InChIKey
SVNPNOPENVFTBB-ZYHUDNBSSA-N
Canonic Smiles
CC(=C[C@@H]1C[C@H](c2c1cc(C)c(c2)O)C)C
Isomeric Smiles
Cc1cc2c(cc1O)[C@@H](C[C@H]2C=C(C)C)C
Calculated Properties
JChem
Acid pKa
9.903936
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.5353856
LogD (pH = 7.4)
4.534051
Log P
4.535403
Molar Refractivity
69.6591
Polarizability
26.416012
Polar Surface Area
20.23
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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