Molecule
ID:60187
General Information
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)
InChIKey
QYYHPAUOLCHORH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)NC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1C2CC3(CC1CC(C2)C3)NC(=O)N
Calculated Properties
JChem
Acid pKa
15.41376
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.9512484
LogD (pH = 7.4)
0.9512486
Log P
0.95124865
Molar Refractivity
53.6561
Polarizability
21.152943
Polar Surface Area
55.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...