Molecule

ID:129008

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₉N₃O
Molecular Mass
363.49586
Exact Mass
363.23106256
Charge
0
InChI
InChI=1S/C23H29N3O/c24-22(27)23(19-8-3-1-4-9-19,20-10-5-2-6-11-20)13-15-25-16-17-26-14-7-12-21(26)18-25/h1-6,8-11,21H,7,12-18H2,(H2,24,27)
InChIKey
SEINJQWGYXAADT-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(c1ccccc1)(c1ccccc1)CCN1CCN2C(C1)CCC2
Isomeric Smiles
O=C(N)C(c1ccccc1)(c1ccccc1)CCN1CC2N(CCC2)CC1
Calculated Properties
JChem
Acid pKa
16.365576
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.39592266
LogD (pH = 7.4)
0.61937517
Log P
3.0661767
Molar Refractivity
109.7556
Polarizability
43.014458
Polar Surface Area
49.57
Rotatable Bonds
6
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