Molecule

ID:128667

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₇NO₂
Molecular Mass
325.44458
Exact Mass
325.20417911
Charge
0
InChI
InChI=1S/C21H27NO2/c1-4-20(23)24-21(17(2)16-22-3,19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,17,22H,4,15-16H2,1-3H3/t17-,21+/m1/s1
InChIKey
IKACRWYHQXOSGM-UTKZUKDTSA-N
Canonic Smiles
CNC[C@H](C(c1ccccc1)(Cc1ccccc1)OC(=O)CC)C
Isomeric Smiles
O=C(OC(c1ccccc1)(Cc1ccccc1)[C@H](C)CNC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2929844
LogD (pH = 7.4)
1.8744295
Log P
4.5191073
Molar Refractivity
97.5859
Polarizability
38.82002
Polar Surface Area
38.33
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation