Molecule

ID:18503

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₄
Molecular Mass
194.27672
Exact Mass
194.1531466
Charge
0
InChI
InChI=1S/C10H18N4/c1-2-14-9-10(7-12-14)8-13-5-3-11-4-6-13/h7,9,11H,2-6,8H2,1H3
InChIKey
WTPIGPMDACSGGN-UHFFFAOYSA-N
Canonic Smiles
CCn1ncc(c1)CN1CCNCC1
Isomeric Smiles
c1(cn(nc1)CC)CN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9729698
LogD (pH = 7.4)
-1.6532577
Log P
0.16338223
Molar Refractivity
69.0081
Polarizability
22.26647
Polar Surface Area
33.09
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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