Molecule

ID:125645

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₉NO₂
Molecular Mass
387.51396
Exact Mass
387.21982917
Charge
0
InChI
InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3
InChIKey
TXUZVZSFRXZGTL-UHFFFAOYSA-N
Canonic Smiles
CC/C(=C(/c1ccc(cc1)O)\c1ccc(cc1)OCCN(C)C)/c1ccccc1
Isomeric Smiles
O(c1ccc(cc1)/C(=C(/c1ccccc1)\CC)/c1ccc(O)cc1)CCN(C)C
Calculated Properties
JChem
Acid pKa
9.451544
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9840212
LogD (pH = 7.4)
4.6672516
Log P
5.694083
Molar Refractivity
130.4117
Polarizability
47.037178
Polar Surface Area
32.7
Rotatable Bonds
8
Lipinski's Rule of Five
false
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