Molecule

ID:34268

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O
Molecular Mass
170.25202
Exact Mass
170.14191321
Charge
0
InChI
InChI=1S/C9H18N2O/c1-7(2)9(12)11-5-3-4-8(10)6-11/h7-8H,3-6,10H2,1-2H3
InChIKey
TVKJZIJEHHMBTL-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(C1)C(=O)C(C)C
Isomeric Smiles
N1(C(=O)C(C)C)CC(N)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6502795
LogD (pH = 7.4)
-1.6489615
Log P
0.32916665
Molar Refractivity
48.6217
Polarizability
19.311396
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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