Molecule

ID:34852

General Information
Structure
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Molecular Formula
C₅H₁₄N₂
Molecular Mass
102.17806
Exact Mass
102.11569846
Charge
0
InChI
InChI=1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3
InChIKey
KDRUIMNNZBMLJR-UHFFFAOYSA-N
Canonic Smiles
NCCNC(C)C
Isomeric Smiles
N(C(C)C)CCN
Calculated Properties
JChem
LogD (pH = 7.4)
-3.07
LogD (pH = 5.5)
-5.04
Log P
-0.22
Rotatable Bonds
3
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.21
Polar Surface Area
38.05
Polarizability
12.97
Molar Refractivity
31.81
LOG S
0.36
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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