Molecule

ID:115773

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O
Molecular Mass
193.2456
Exact Mass
193.12151212
Charge
0
InChI
InChI=1S/C10H15N3O/c1-2-10(13-12-5-1)14-8-9-3-6-11-7-4-9/h1-2,5,9,11H,3-4,6-8H2
InChIKey
IJVNYLFWYSWYHO-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COc1cccnn1
Isomeric Smiles
n1ncccc1OCC1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.914505
LogD (pH = 7.4)
-2.4537015
Log P
0.31694865
Molar Refractivity
55.5155
Polarizability
21.072243
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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