Molecule

ID:43059

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₂
Molecular Mass
186.25142
Exact Mass
186.13682783
Charge
0
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10-11/h10H,4-7H2,1-3H3
InChIKey
BPIRWUNWELABQK-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCN1)OC(C)(C)C
Isomeric Smiles
C(=O)(N1NCCCC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1825193
LogD (pH = 7.4)
1.1994166
Log P
1.1996363
Molar Refractivity
61.1444
Polarizability
19.920057
Polar Surface Area
41.57
Rotatable Bonds
2
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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