Molecule

ID:116114

General Information
Structure
Molecular Formula
C₁₁H₁₉N₃
Molecular Mass
193.28866
Exact Mass
193.15789762
Charge
0
InChI
InChI=1S/C11H19N3/c1-9-7-10(2)14(13-9)8-11-3-5-12-6-4-11/h7,11-12H,3-6,8H2,1-2H3
InChIKey
PUYJMVKFIFCPIB-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(nn1CC1CCNCC1)C
Isomeric Smiles
n1(nc(cc1C)C)CC1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.398118
LogD (pH = 7.4)
-1.9356811
Log P
0.8363963
Molar Refractivity
69.677
Polarizability
22.42743
Polar Surface Area
29.85
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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