Molecule

ID:14663

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClN₂O₄
Molecular Mass
310.7329
Exact Mass
310.07203465
Charge
0
InChI
InChI=1S/C14H14N2O4.ClH/c17-13(11-3-1-9-19-11)15-5-7-16(8-6-15)14(18)12-4-2-10-20-12;/h1-4,9-10H,5-8H2;1H
InChIKey
NHXORXGXCYFQFA-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccco1)N1CCN(CC1)C(=O)c1ccco1.Cl
Isomeric Smiles
N1(C(=O)c2ccco2)CCN(CC1)C(=O)c1ccco1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.31991988
LogD (pH = 7.4)
0.31991988
Log P
0.31991988
Molar Refractivity
70.7034
Polarizability
26.086035
Polar Surface Area
66.9
Rotatable Bonds
2
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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