Molecule

ID:53573

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅N₃O
Molecular Mass
323.432
Exact Mass
323.19976244
Charge
0
InChI
InChI=1S/C20H25N3O/c21-19(24)11-12-22-13-15-23(16-14-22)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20H,11-16H2,(H2,21,24)
InChIKey
VYJORZHEIHRCQM-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
N1(C(c2ccccc2)c2ccccc2)CCN(CCC(=O)N)CC1
Calculated Properties
Provided by Enamine
CLogP
2.95
H Donor
1
Polar Surface Area
49.57
Rotatable Bonds
6
JChem
Log P
2.45
LogD (pH = 7.4)
1.56
LogD (pH = 5.5)
-0.21
Rotatable Bonds
6
H Donor
1
H Acceptors
3
Polar Surface Area
49.57
Molar Refractivity
97
Polarizability
37.25
Acid pKa
16.22
Lipinski's Rule of Five
true
LOG S
-2.49
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation