Molecule

ID:51814

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-2-12-11(15)13-8-7-9-3-5-10(14)6-4-9/h3-6,14H,2,7-8H2,1H3,(H2,12,13,15)
InChIKey
OUMHUJCEHLEYHD-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)NCCc1ccc(cc1)O
Isomeric Smiles
C(=O)(NCCc1ccc(cc1)O)NCC
Calculated Properties
JChem
Acid pKa
9.504586
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
1.1498525
LogD (pH = 7.4)
1.1465149
Log P
1.1498952
Molar Refractivity
59.0331
Polarizability
22.485119
Polar Surface Area
61.36
Rotatable Bonds
4
Lipinski's Rule of Five
true
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