Molecule

ID:19066

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃
Molecular Mass
191.27278
Exact Mass
191.14224756
Charge
0
InChI
InChI=1S/C11H17N3/c12-10-4-7-14(8-5-10)9-11-3-1-2-6-13-11/h1-3,6,10H,4-5,7-9,12H2
InChIKey
MHKZEPLHUMBAES-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)Cc1ccccn1
Isomeric Smiles
N1(Cc2ncccc2)CCC(CC1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.1857457
LogD (pH = 7.4)
-2.7827618
Log P
-0.010380157
Molar Refractivity
57.3034
Polarizability
22.81802
Polar Surface Area
42.15
Rotatable Bonds
2
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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