Molecule

ID:42487

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₃
Molecular Mass
189.2569
Exact Mass
189.1265975
Charge
0
InChI
InChI=1S/C11H15N3/c1-9-4-5-11-12-6-10(8-13(2)3)14(11)7-9/h4-7H,8H2,1-3H3
InChIKey
UIANWMYNGANQOS-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1cnc2n1cc(C)cc2)C
Isomeric Smiles
n12c(cnc1ccc(c2)C)CN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.5395088
LogD (pH = 7.4)
0.31435344
Log P
1.1343687
Molar Refractivity
59.3978
Polarizability
22.10579
Polar Surface Area
20.54
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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