Molecule

ID:69072

General Information
Structure
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c11-7-8(3-5-10-7)2-1-4-9-6-8/h9H,1-6H2,(H,10,11)
InChIKey
KIMWNWBXVWTJDT-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCC21CCCNC2
Isomeric Smiles
C1(=O)NCCC21CNCCC2
Calculated Properties
JChem
Acid pKa
14.723292
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.6688256
LogD (pH = 7.4)
-2.7927356
Log P
-0.4646455
Molar Refractivity
42.4096
Polarizability
16.74643
Polar Surface Area
41.13
Rotatable Bonds
0
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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