Molecule

ID:37932

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O
Molecular Mass
180.24684
Exact Mass
180.12626314
Charge
0
InChI
InChI=1S/C10H16N2O/c1-7(2)9-6-10(13-12-9)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3
InChIKey
AOVXBLGZZGFZSD-UHFFFAOYSA-N
Canonic Smiles
CC(c1noc(c1)C1CCCN1)C
Isomeric Smiles
c1(cc(no1)C(C)C)C1NCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3923271
LogD (pH = 7.4)
0.061790228
Log P
1.656598
Molar Refractivity
51.6296
Polarizability
19.91361
Polar Surface Area
38.06
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