Molecule

ID:130434

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₂
Molecular Mass
361.47668
Exact Mass
361.20417911
Charge
0
InChI
InChI=1S/C24H27NO2/c26-19-10-9-18-14-22-20-8-4-5-11-24(20,21(18)15-19)12-13-25(22)16-23(27)17-6-2-1-3-7-17/h1-3,6-7,9-10,15,20,22,26H,4-5,8,11-14,16H2/t20-,22+,24+/m0/s1
InChIKey
RCYBMSQOSGJZLO-BGWNEDDSSA-N
Canonic Smiles
Oc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2)N(CC1)CC(=O)c1ccccc1
Isomeric Smiles
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)Cc1c3cc(cc1)O)CC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
10.261663
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0833335
LogD (pH = 7.4)
4.4376063
Log P
4.5801024
Molar Refractivity
107.9826
Polarizability
41.876854
Polar Surface Area
40.54
Rotatable Bonds
3
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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