Molecule

ID:19052

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c1-2-10(8-12-5-1)13-9-3-6-11-7-4-9/h1-2,5,8-9,11H,3-4,6-7H2
InChIKey
URPWHVAXGCXZOR-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Oc1cccnc1
Isomeric Smiles
N1CCC(Oc2cnccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0339794
LogD (pH = 7.4)
-2.1223667
Log P
0.24166031
Molar Refractivity
50.5207
Polarizability
20.111122
Polar Surface Area
34.15
Rotatable Bonds
2
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