Molecule
ID:87207
General Information
Molecular Formula
C₅H₁₄N₆
Molecular Mass
158.20486
Exact Mass
158.12799448
Charge
0
InChI
InChI=1S/C5H14N6/c6-4(7)10-2-1-3-11-5(8)9/h1-3H2,(H4,6,7,10)(H4,8,9,11)
InChIKey
MSPDCJMYQNYOSY-UHFFFAOYSA-N
Canonic Smiles
NC(=N)NCCCNC(=N)N
Isomeric Smiles
N=C(NCCCNC(=N)N)N
Calculated Properties
JChem
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
-6.8609157
LogD (pH = 7.4)
-6.8588257
Log P
-2.0300245
Molar Refractivity
64.1632
Polarizability
15.984067
Polar Surface Area
123.8
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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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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