Molecule

ID:62816

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClN₃
Molecular Mass
275.77652
Exact Mass
275.11892527
Charge
0
InChI
InChI=1S/C15H17N3.ClH/c1-2-5-12(6-3-1)9-13-10-16-11-15(18-13)14-7-4-8-17-14;/h1-3,5-6,10-11,14,17H,4,7-9H2;1H
InChIKey
RUTNMOXCTFMBRT-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)c1cncc(n1)Cc1ccccc1.Cl
Isomeric Smiles
n1c(C2NCCC2)cncc1Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3136499
LogD (pH = 7.4)
0.093510374
Log P
1.7611854
Molar Refractivity
71.0697
Polarizability
28.075253
Polar Surface Area
37.81
Rotatable Bonds
3
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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