Molecule

ID:16656

General Information
Structure
Molecular Formula
C₉H₁₈N₂O
Molecular Mass
170.25202
Exact Mass
170.14191321
Charge
0
InChI
InChI=1S/C9H18N2O/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h9-10H,1-8H2
InChIKey
GKBPGHNDWVURBD-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)CC1CCCO1
Isomeric Smiles
N1(CC2CCCO2)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2008336
LogD (pH = 7.4)
-1.848209
Log P
0.07283013
Molar Refractivity
48.9982
Polarizability
19.593437
Polar Surface Area
24.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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