Molecule

ID:119935

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O
Molecular Mass
168.23614
Exact Mass
168.12626314
Charge
0
InChI
InChI=1S/C9H16N2O/c1-8-3-10-5-9(2,7(8)12)6-11-4-8/h10-11H,3-6H2,1-2H3
InChIKey
VAXDAORNOMZREO-UHFFFAOYSA-N
Canonic Smiles
O=C1C2(C)CNCC1(C)CNC2
Isomeric Smiles
C1(=O)C2(CNCC1(CNC2)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.2171025
LogD (pH = 7.4)
-2.1708322
Log P
0.27081937
Molar Refractivity
47.04
Polarizability
18.97357
Polar Surface Area
41.13
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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