Molecule

ID:74336

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂O
Molecular Mass
172.2679
Exact Mass
172.15756327
Charge
0
InChI
InChI=1S/C9H20N2O/c1-10-5-7-11(8-6-10)4-2-3-9-12/h12H,2-9H2,1H3
InChIKey
GSFOUKVQYFLTRA-UHFFFAOYSA-N
Canonic Smiles
OCCCCN1CCN(CC1)C
Isomeric Smiles
N1(C)CCN(CCCCO)CC1
Calculated Properties
JChem
Acid pKa
15.972566
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.131483
LogD (pH = 7.4)
-1.4378232
Log P
-0.07549056
Molar Refractivity
51.8405
Polarizability
20.25109
Polar Surface Area
26.71
Rotatable Bonds
4
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