Molecule
ID:123460
General Information
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c11-7-8(3-1-2-4-8)10-6-5-9-7/h10H,1-6H2,(H,9,11)
InChIKey
HOOFQCLLFLKXDW-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCNC21CCCC2
Isomeric Smiles
C1(=O)C2(NCCN1)CCCC2
Calculated Properties
JChem
Acid pKa
14.444484
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.8152268
LogD (pH = 7.4)
-0.21063706
Log P
0.11316236
Molar Refractivity
41.9809
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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