Molecule

ID:21937

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c1-2-4-10(13)12-9-6-3-5-8(11)7-9/h3,5-7H,2,4,11H2,1H3,(H,12,13)
InChIKey
DRXFARCOYOPZDW-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)Nc1cccc(c1)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)CCC
Calculated Properties
JChem
Acid pKa
14.128415
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.512402
LogD (pH = 7.4)
1.5269461
Log P
1.5271348
Molar Refractivity
54.8493
Polarizability
20.029375
Polar Surface Area
55.12
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