Molecule

ID:10220

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O
Molecular Mass
114.1457
Exact Mass
114.07931295
Charge
0
InChI
InChI=1S/C5H10N2O/c8-5-1-2-6-3-4-7-5/h6H,1-4H2,(H,7,8)
InChIKey
QPPLBCQXWDBQFS-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCNCC1
Isomeric Smiles
N1CCNC(=O)CC1
Calculated Properties
JChem
Acid pKa
14.785261
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.782306
LogD (pH = 7.4)
-2.0498073
Log P
-1.2326739
Molar Refractivity
30.2273
Polarizability
11.95924
Polar Surface Area
41.13
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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