Molecule

ID:113236

General Information
Structure
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-2-7-13-10-6-4-3-5-9(10)12-11(13)8-14/h3-6,14H,2,7-8H2,1H3
InChIKey
URDDBBVSKFVSAT-UHFFFAOYSA-N
Canonic Smiles
CCCn1c(CO)nc2c1cccc2
Isomeric Smiles
n1c(n(c2c1cccc2)CCC)CO
Calculated Properties
JChem
Acid pKa
13.974274
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6179333
LogD (pH = 7.4)
1.6676517
Log P
1.6683271
Molar Refractivity
55.2807
Polarizability
22.567343
Polar Surface Area
38.05
Rotatable Bonds
3
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