Molecule

ID:51289

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₂O
Molecular Mass
264.75058
Exact Mass
264.10294085
Charge
0
InChI
InChI=1S/C14H16N2O.ClH/c17-14-6-5-11-3-1-2-4-13(11)16(14)12-7-9-15-10-8-12;/h1-6,12,15H,7-10H2;1H
InChIKey
ZGDMVIICYKKJSC-UHFFFAOYSA-N
Canonic Smiles
O=c1ccc2c(n1C1CCNCC1)cccc2.Cl
Isomeric Smiles
n1(c(=O)ccc2c1cccc2)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1151395
LogD (pH = 7.4)
-1.4293348
Log P
1.1049666
Molar Refractivity
68.5515
Polarizability
26.162249
Polar Surface Area
32.34
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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