Molecule

ID:31108

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃
Molecular Mass
191.27278
Exact Mass
191.14224756
Charge
0
InChI
InChI=1S/C11H17N3/c1-2-5-13-11(3-1)4-8-14-9-6-12-7-10-14/h1-3,5,12H,4,6-10H2
InChIKey
NJUNCRDVGUBYCB-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)CCc1ccccn1
Isomeric Smiles
N1(CCc2ncccc2)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7369938
LogD (pH = 7.4)
-1.3746341
Log P
0.47952643
Molar Refractivity
57.3764
Polarizability
22.741596
Polar Surface Area
28.16
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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