Molecule

ID:18387

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇N₃
Molecular Mass
203.28348
Exact Mass
203.14224756
Charge
0
InChI
InChI=1S/C12H17N3/c1-4-15-11-6-5-9(13)7-10(11)14-12(15)8(2)3/h5-8H,4,13H2,1-3H3
InChIKey
WEUCMANFVGOTIL-UHFFFAOYSA-N
Canonic Smiles
CCn1c(nc2c1ccc(c2)N)C(C)C
Isomeric Smiles
n1c(n(c2c1cc(cc2)N)CC)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0624865
LogD (pH = 7.4)
2.0805237
Log P
2.3776488
Molar Refractivity
62.9563
Polarizability
24.867722
Polar Surface Area
43.84
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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