Molecule

ID:85863

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₈O₄
Molecular Mass
390.55612
Exact Mass
390.2770097
Charge
0
InChI
InChI=1S/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h12,14-19,21,25-26H,4-11,13H2,1-3H3,(H,27,28)/t14?,15-,16?,17?,18?,19?,21+,23?,24?/m1/s1
InChIKey
AJQRAPNIKHYNJX-WYEPJGGDSA-N
Canonic Smiles
OC(=O)CCC(C1CCC2C1(C)CCC1C2C[C@@H](C2=C[C@@H](CCC12C)O)O)C
Isomeric Smiles
O=C(CCC(C1C2(CCC3C(C2CC1)C[C@@H](C1=C[C@@H](CCC31C)O)O)C)C)O
Calculated Properties
JChem
Acid pKa
4.791043
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
2.7557535
LogD (pH = 7.4)
0.98081374
Log P
3.541587
Molar Refractivity
109.8928
Polarizability
43.52601
Polar Surface Area
77.76
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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