Molecule

ID:86378

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₂O
Molecular Mass
250.724
Exact Mass
250.08729079
Charge
0
InChI
InChI=1S/C13H15ClN2O/c1-9-5-4-6-10(7-9)11-15-12(17-16-11)13(2,3)8-14/h4-7H,8H2,1-3H3
InChIKey
UEOJXHYWZDQSGH-UHFFFAOYSA-N
Canonic Smiles
ClCC(c1onc(n1)c1cccc(c1)C)(C)C
Isomeric Smiles
n1c(c2cc(ccc2)C)nc(o1)C(C)(C)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7513227
LogD (pH = 7.4)
4.7513227
Log P
4.7513227
Molar Refractivity
80.0952
Polarizability
26.581226
Polar Surface Area
38.92
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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