Molecule

ID:127514

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₀O₃
Molecular Mass
318.4504
Exact Mass
318.21949482
Charge
0
InChI
InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/t15-,16+,19-,20+/m0/s1
InChIKey
MBPTXJNHCBXMBP-ACZWYYKOSA-N
Canonic Smiles
O=C1OCC/C/1=C/C[C@H]1[C@]2(CC[C@@H]3[C@]1(C)CCCC3(C)C)OC2
Isomeric Smiles
O=C1OCC/C/1=C/C[C@@H]1[C@@]2([C@H](C(CCC2)(C)C)CC[C@@]21OC2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2401323
LogD (pH = 7.4)
4.2401323
Log P
4.2401323
Molar Refractivity
90.371
Polarizability
35.864185
Polar Surface Area
38.83
Rotatable Bonds
2
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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