Molecule

ID:34134

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O
Molecular Mass
170.25202
Exact Mass
170.14191321
Charge
0
InChI
InChI=1S/C9H18N2O/c1-8(12)10-7-5-9-4-2-3-6-11-9/h9,11H,2-7H2,1H3,(H,10,12)
InChIKey
KAIPSSANSKXTLM-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NCCC1CCCCN1
Isomeric Smiles
C1CNC(CC1)CCNC(=O)C
Calculated Properties
JChem
Acid pKa
16.381601
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.4313865
LogD (pH = 7.4)
-2.946056
Log P
-0.20092274
Molar Refractivity
48.7646
Polarizability
19.311396
Polar Surface Area
41.13
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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