Molecule

ID:19331

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-13-10-6-3-2-5-9(10)12-11(13)7-4-8-14/h2-3,5-6,14H,4,7-8H2,1H3
InChIKey
DFIWBBQMDHDFAS-UHFFFAOYSA-N
Canonic Smiles
OCCCc1nc2c(n1C)cccc2
Isomeric Smiles
n1c(n(c2c1cccc2)C)CCCO
Calculated Properties
JChem
Acid pKa
15.95817
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.72528654
LogD (pH = 7.4)
1.2973046
Log P
1.3146707
Molar Refractivity
55.4625
Polarizability
22.48765
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