Molecule

ID:34544

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c12-8-10-3-5-13(6-4-10)9-11-2-1-7-14-11/h1-2,7,10H,3-6,8-9,12H2
InChIKey
GKCIOGOJFDDOJI-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)Cc1ccco1
Isomeric Smiles
C1N(CCC(C1)CN)Cc1ccco1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.4508677
LogD (pH = 7.4)
-3.3555086
Log P
0.6466678
Molar Refractivity
57.1914
Polarizability
22.404966
Polar Surface Area
42.4
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