Molecule

ID:121610

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClN₃
Molecular Mass
263.76582
Exact Mass
263.11892527
Charge
0
InChI
InChI=1S/C14H17N3.ClH/c1-11-10-14(17-8-6-15-7-9-17)16-13-5-3-2-4-12(11)13;/h2-5,10,15H,6-9H2,1H3;1H
InChIKey
SEXLPXKEJXXJCC-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(nc2c1cccc2)N1CCNCC1.Cl
Isomeric Smiles
c1(nc2c(c(c1)C)cccc2)N1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.23930122
LogD (pH = 7.4)
1.401707
Log P
2.810895
Molar Refractivity
70.518
Polarizability
28.074959
Polar Surface Area
28.16
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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