Molecule

ID:55738

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClN₃O
Molecular Mass
279.76522
Exact Mass
279.11383989
Charge
0
InChI
InChI=1S/C14H17N3O.ClH/c1-16-12-5-3-2-4-11(12)10-13(16)14(18)17-8-6-15-7-9-17;/h2-5,10,15H,6-9H2,1H3;1H
InChIKey
MLOYAHWCZJOCBQ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc2c(n1C)cccc2)N1CCNCC1.Cl
Isomeric Smiles
c1(n(c2c(c1)cccc2)C)C(=O)N1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2962035
LogD (pH = 7.4)
0.41767582
Log P
0.97774905
Molar Refractivity
71.5459
Polarizability
28.310513
Polar Surface Area
37.27
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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