Molecule

ID:35252

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N₃
Molecular Mass
245.36322
Exact Mass
245.18919775
Charge
0
InChI
InChI=1S/C15H23N3/c1-11-4-5-14-13(10-11)12(6-8-16)15(17-14)7-9-18(2)3/h4-5,10,17H,6-9,16H2,1-3H3
InChIKey
SFUMZHXMXGEGFC-UHFFFAOYSA-N
Canonic Smiles
NCCc1c(CCN(C)C)[nH]c2c1cc(C)cc2
Isomeric Smiles
c1([nH]c2c(c1CCN)cc(cc2)C)CCN(C)C
Calculated Properties
JChem
Acid pKa
17.237747
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.3375297
LogD (pH = 7.4)
-2.0621045
Log P
1.9212165
Molar Refractivity
78.6997
Polarizability
31.345608
Polar Surface Area
45.05
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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