Molecule

ID:15638

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N₃
Molecular Mass
231.33664
Exact Mass
231.17354769
Charge
0
InChI
InChI=1S/C14H21N3/c1-16(2)9-8-15-11-13-10-12-6-4-5-7-14(12)17(13)3/h4-7,10,15H,8-9,11H2,1-3H3
InChIKey
MVKUBRNRNDTHLE-UHFFFAOYSA-N
Canonic Smiles
CN(CCNCc1cc2c(n1C)cccc2)C
Isomeric Smiles
c1ccc2c(c1)n(c(c2)CNCCN(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4650275
LogD (pH = 7.4)
0.03559569
Log P
1.7926784
Molar Refractivity
73.1858
Polarizability
29.662786
Polar Surface Area
20.2
Rotatable Bonds
5
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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