Molecule

ID:127248

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄O₂
Molecular Mass
332.43546
Exact Mass
332.17763001
Charge
0
InChI
InChI=1S/C23H24O2/c24-23(25)22-17-12-11-16-19(22)13-18-15(20(17)21(16)18)10-6-2-5-9-14-7-3-1-4-8-14/h1-9,11-12,15-22H,10,13H2,(H,24,25)/t15-,16?,17?,18?,19-,20-,21-,22-/m0/s1
InChIKey
HBOLNRUBYUUVLM-SPROWVPSSA-N
Canonic Smiles
OC(=O)[C@H]1C2C=CC3[C@@H]1CC1[C@@H]([C@@H]2[C@@H]31)C/C=C/C=C/c1ccccc1
Isomeric Smiles
OC(=O)[C@H]1C2C=CC3[C@@H]1CC1[C@H](C/C=C/C=C/c4ccccc4)[C@@H]2[C@@H]31
Calculated Properties
JChem
Acid pKa
4.5665336
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.436879
LogD (pH = 7.4)
1.6627004
Log P
4.417126
Molar Refractivity
102.1283
Polarizability
38.599586
Polar Surface Area
37.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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