Molecule
ID:119335
General Information
Molecular Formula
C₂₄H₃₄O₃
Molecular Mass
370.52496
Exact Mass
370.25079495
Charge
0
InChI
InChI=1S/C24H34O3/c1-4-26-17-7-11-22(2)16(15-17)5-6-18-19(22)8-12-23(3)20(18)9-13-24(23)14-10-21(25)27-24/h5,15,18-20H,4,6-14H2,1-3H3/t18-,19+,20+,22+,23+,24-/m1/s1
InChIKey
PFOMZLRVGKNKCE-PXFMPXEPSA-N
Canonic Smiles
CCOC1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@]21CCC(=O)O2)C
Isomeric Smiles
[C@@]12(C(=CC[C@@H]3[C@@H]1CC[C@@]1([C@@]4(OC(=O)CC4)CC[C@@H]31)C)C=C(CC2)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.057752
LogD (pH = 7.4)
4.057752
Log P
4.057752
Molar Refractivity
108.4108
Polarizability
42.262478
Polar Surface Area
35.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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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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