Molecule

ID:125860

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈O
Molecular Mass
272.42502
Exact Mass
272.21401552
Charge
0
InChI
InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1
InChIKey
HFVMLYAGWXSTQI-QYXZOKGRSA-N
Canonic Smiles
O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2)C)C
Isomeric Smiles
O=C1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C=CC[C@@H]34)C)[C@@]2(C)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.280147
LogD (pH = 7.4)
4.280147
Log P
4.280147
Molar Refractivity
83.2042
Polarizability
32.6592
Polar Surface Area
17.07
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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