Molecule

ID:26852

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₄
Molecular Mass
194.27672
Exact Mass
194.1531466
Charge
0
InChI
InChI=1S/C10H18N4/c1-9-10(7-12-13(9)2)8-14-5-3-11-4-6-14/h7,11H,3-6,8H2,1-2H3
InChIKey
JRFJHJWOHLJXCK-UHFFFAOYSA-N
Canonic Smiles
Cc1c(CN2CCNCC2)cnn1C
Isomeric Smiles
c1(c(n(nc1)C)C)CN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1504297
LogD (pH = 7.4)
-1.8238975
Log P
0.0061356053
Molar Refractivity
69.4092
Polarizability
22.187185
Polar Surface Area
33.09
Rotatable Bonds
2
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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