Molecule

ID:86754

General Information
Structure
Molecular Formula
C₁₅H₁₂ClN₃O₂
Molecular Mass
301.72768
Exact Mass
301.06180432
Charge
0
InChI
InChI=1S/C15H12ClN3O2/c1-10-2-4-12(5-3-10)20-9-14-18-15(21-19-14)11-6-7-17-13(16)8-11/h2-8H,9H2,1H3
InChIKey
GOGJNFBRXYMTPN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)OCc1noc(n1)c1ccnc(c1)Cl
Isomeric Smiles
n1c(c2ccnc(c2)Cl)onc1COc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.9687464
LogD (pH = 7.4)
3.9687464
Log P
3.9687464
Molar Refractivity
91.1126
Polarizability
30.645922
Polar Surface Area
61.04
Rotatable Bonds
4
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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