Molecule

ID:119337

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀O
Molecular Mass
240.3401
Exact Mass
240.15141526
Charge
0
InChI
InChI=1S/C17H20O/c1-5-17(4)12-11-15(13(2)3)16(18-17)14-9-7-6-8-10-14/h1,6-10,15-16H,2,11-12H2,3-4H3
InChIKey
KMULJELYGAFWKQ-UHFFFAOYSA-N
Canonic Smiles
C#CC1(C)CCC(C(O1)c1ccccc1)C(=C)C
Isomeric Smiles
C1(OC(C#C)(CCC1C(=C)C)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.076497
LogD (pH = 7.4)
4.076497
Log P
4.076497
Molar Refractivity
74.7246
Polarizability
29.253408
Polar Surface Area
9.23
Rotatable Bonds
2
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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