Molecule

ID:127201

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃N₃
Molecular Mass
257.37392
Exact Mass
257.18919775
Charge
0
InChI
InChI=1S/C16H23N3/c1-12-16(13(2)19(5)17-12)15-8-6-7-14(11-15)9-10-18(3)4/h6-8,11H,9-10H2,1-5H3
InChIKey
MFUWRMRKXKCSPL-UHFFFAOYSA-N
Canonic Smiles
CN(CCc1cccc(c1)c1c(C)nn(c1C)C)C
Isomeric Smiles
Cn1nc(C)c(c1C)c1cc(ccc1)CCN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.6680522
LogD (pH = 7.4)
0.841828
Log P
2.6093206
Molar Refractivity
93.1365
Polarizability
32.26989
Polar Surface Area
21.06
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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