Molecule

ID:13567

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₃
Molecular Mass
193.28866
Exact Mass
193.15789762
Charge
0
InChI
InChI=1S/C11H19N3/c1-14(2)9-3-6-13-10-11-4-7-12-8-5-11/h4-5,7-8,13H,3,6,9-10H2,1-2H3
InChIKey
KMAISJBXUNWYHY-UHFFFAOYSA-N
Canonic Smiles
CN(CCCNCc1ccncc1)C
Isomeric Smiles
C(CCNCc1ccncc1)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.8477125
LogD (pH = 7.4)
-2.3783817
Log P
0.39252648
Molar Refractivity
60.0336
Polarizability
23.555704
Polar Surface Area
28.16
Rotatable Bonds
6
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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