Molecule
ID:65291
General Information
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c11-7-5-8(6-10-7)1-3-9-4-2-8/h9H,1-6H2,(H,10,11)
InChIKey
ASPBBYVNTMIKLA-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC2(C1)CCNCC2
Isomeric Smiles
C12(CCNCC1)CNC(=O)C2
Calculated Properties
JChem
Acid pKa
14.82492
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.1965265
LogD (pH = 7.4)
-3.5083008
Log P
-0.97657984
Molar Refractivity
42.3578
Polarizability
16.74643
Polar Surface Area
41.13
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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