Molecule

ID:86241

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇N₃
Molecular Mass
203.28348
Exact Mass
203.14224756
Charge
0
InChI
InChI=1S/C12H17N3/c1-11-4-5-12(2)15(11)8-3-7-14-9-6-13-10-14/h4-6,9-10H,3,7-8H2,1-2H3
InChIKey
RVTJEACYMMLUDZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(n1CCCn1ccnc1)C
Isomeric Smiles
n1(c(ccc1C)C)CCCn1cncc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1099882
LogD (pH = 7.4)
1.5741606
Log P
1.6428154
Molar Refractivity
62.8188
Polarizability
23.33615
Polar Surface Area
22.75
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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