Molecule

ID:59210

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O
Molecular Mass
170.25202
Exact Mass
170.14191321
Charge
0
InChI
InChI=1S/C9H18N2O/c1-2-3-9(8(10)11)4-6-12-7-5-9/h2-7H2,1H3,(H3,10,11)
InChIKey
RWSJXXQNSSBQCP-UHFFFAOYSA-N
Canonic Smiles
CCCC1(CCOCC1)C(=N)N
Isomeric Smiles
C1COCCC1(C(=N)N)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.5097526
LogD (pH = 7.4)
-1.5090566
Log P
0.9056973
Molar Refractivity
59.5137
Polarizability
19.132324
Polar Surface Area
59.1
Rotatable Bonds
3
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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