Molecule

ID:702

General Information
Structure
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Molecular Formula
C₂₄H₃₂O₄
Molecular Mass
384.50848
Exact Mass
384.2300595
Charge
0
InChI
InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1
InChIKey
ONKUMRGIYFNPJW-KIEAKMPYSA-N
Canonic Smiles
C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C[C@H](CC[C@H]12)OC(=O)C)OC(=O)C
Isomeric Smiles
O([C@@]1([C@@]2([C@H]([C@H]3[C@H](CC2)[C@@H]2C(=C[C@@H](OC(=O)C)CC2)CC3)CC1)C)C#C)C(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
3.69
LogD (pH = 5.5)
3.69
Log P
3.69
Rotatable Bonds
4
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-6.73
Polar Surface Area
52.60
Polarizability
44.14
Molar Refractivity
106.62
LOG S
-5.49
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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