Molecule

ID:39636

General Information
Structure
Molecular Formula
C₁₁H₁₇N₃
Molecular Mass
191.27278
Exact Mass
191.14224756
Charge
0
InChI
InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
InChIKey
MOZNZNKHRXRLLF-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ccc(cc1)N
Isomeric Smiles
N1(c2ccc(N)cc2)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7634221
LogD (pH = 7.4)
0.36807135
Log P
1.0994833
Molar Refractivity
61.2371
Polarizability
22.625366
Polar Surface Area
32.5
Rotatable Bonds
1
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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