Molecule

ID:75820

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrClN₂O₂
Molecular Mass
305.5556
Exact Mass
303.96141725
Charge
0
InChI
InChI=1S/C10H9BrN2O2.ClH/c1-2-15-10(14)7-5-8(11)9-12-3-4-13(9)6-7;/h3-6H,2H2,1H3;1H
InChIKey
WOGBIPVVEXPIQZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(Br)c2n(c1)ccn2.Cl
Isomeric Smiles
n12ccnc1c(cc(c2)C(=O)OCC)Br.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7328724
LogD (pH = 7.4)
1.8861399
Log P
1.888587
Molar Refractivity
60.3331
Polarizability
22.478754
Polar Surface Area
43.6
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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