Molecule

ID:125877

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₅NO₃
Molecular Mass
399.4816
Exact Mass
399.18344367
Charge
0
InChI
InChI=1S/C26H25NO3/c1-27(2)16-15-24(19-9-5-3-6-10-19)29-21-13-14-25-22(17-21)23(28)18-26(30-25)20-11-7-4-8-12-20/h3-14,17-18,24H,15-16H2,1-2H3
InChIKey
JDQWJVUVMKPZLU-UHFFFAOYSA-N
Canonic Smiles
CN(CCC(c1ccccc1)Oc1ccc2c(c1)c(=O)cc(o2)c1ccccc1)C
Isomeric Smiles
O=c1c2c(oc(c1)c1ccccc1)ccc(OC(c1ccccc1)CCN(C)C)c2
Calculated Properties
JChem
Acid pKa
15.468145
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9121351
LogD (pH = 7.4)
3.6805642
Log P
4.6725583
Molar Refractivity
120.6017
Polarizability
46.298515
Polar Surface Area
38.77
Rotatable Bonds
7
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