Molecule

ID:129185

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClN₃O₂
Molecular Mass
291.73286
Exact Mass
291.07745438
Charge
0
InChI
InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3
InChIKey
FXIDXTIMKAEBGY-UHFFFAOYSA-N
Canonic Smiles
COCc1ncn2c1CN(C)C(=O)c1c2ccc(c1)Cl
Isomeric Smiles
Clc1ccc2c(C(=O)N(Cc3c(COC)ncn23)C)c1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.17043616
LogD (pH = 7.4)
0.30839804
Log P
0.3105
Molar Refractivity
87.16
Polarizability
29.455355
Polar Surface Area
47.36
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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