Molecule

ID:16392

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-12(2)8-10(7-11(15)9-12)14-5-3-13-4-6-14/h7,13H,3-6,8-9H2,1-2H3
InChIKey
CLZCCWWVXDLTON-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(CC(C1)(C)C)N1CCNCC1
Isomeric Smiles
C1(=CC(=O)CC(C1)(C)C)N1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2101674
LogD (pH = 7.4)
-0.84110963
Log P
0.88884866
Molar Refractivity
62.8929
Polarizability
23.867317
Polar Surface Area
32.34
Rotatable Bonds
1
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