Molecule

ID:34846

General Information
Structure
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Molecular Formula
C₆H₁₄N₂
Molecular Mass
114.18876
Exact Mass
114.11569846
Charge
0
InChI
InChI=1S/C6H14N2/c7-3-6-8-4-1-2-5-8/h1-7H2
InChIKey
WRXNJTBODVGDRY-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCCC1
Isomeric Smiles
N1(CCN)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.153675
LogD (pH = 7.4)
-2.8958197
Log P
-0.20101687
Molar Refractivity
35.4789
Polarizability
14.118806
Polar Surface Area
29.26
Rotatable Bonds
2
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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