Molecule

ID:4077

General Information
Structure
Molecular Formula
C₅H₁₀N₂
Molecular Mass
98.1463
Exact Mass
98.08439833
Charge
0
InChI
InChI=1S/C5H10N2/c6-5-2-1-3-7-4-5/h3,5H,1-2,4,6H2/t5-/m0/s1
InChIKey
SEECZTVWJNGUEJ-YFKPBYRVSA-N
Canonic Smiles
N[C@H]1CCC=NC1
Isomeric Smiles
N[C@H]1CCC=NC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.327066
LogD (pH = 7.4)
-3.093206
Log P
-0.6558382
Molar Refractivity
29.1874
Polarizability
11.465073
Polar Surface Area
38.38
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.25
LOG S
-0.82
Solubility (Water)
1.48e+01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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