Molecule

ID:116118

General Information
Structure
Molecular Formula
C₁₀H₁₅N₃O
Molecular Mass
193.2456
Exact Mass
193.12151212
Charge
0
InChI
InChI=1S/C10H15N3O/c1-3-9(7-11-4-1)8-14-10-12-5-2-6-13-10/h2,5-6,9,11H,1,3-4,7-8H2
InChIKey
RMXRCDWPOLCHAO-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)COc1ncccn1
Isomeric Smiles
c1(ncccn1)OCC1CNCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5051286
LogD (pH = 7.4)
-1.847469
Log P
0.7167659
Molar Refractivity
54.0071
Polarizability
21.070807
Polar Surface Area
47.04
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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