Molecule

ID:61990

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆BrClN₂
Molecular Mass
291.61514
Exact Mass
290.0185382
Charge
0
InChI
InChI=1S/C11H15BrN2.ClH/c1-14-6-2-3-9(8-14)11-5-4-10(12)7-13-11;/h4-5,7,9H,2-3,6,8H2,1H3;1H
InChIKey
VJKKIPDTQDCBKU-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(C1)c1ccc(cn1)Br.Cl
Isomeric Smiles
n1c(C2CN(CCC2)C)ccc(c1)Br.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.6404457
LogD (pH = 7.4)
1.0953168
Log P
2.2982295
Molar Refractivity
61.6877
Polarizability
23.931364
Polar Surface Area
16.13
Rotatable Bonds
1
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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