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Compound Detail

CHEMBL1196013

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NC/C(=C/Br)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196013
Phase Preclinical
Structure Type MOL
InChI Key POPUWIUFSWRDDQ-TWGQIWQCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

212.1
MW (Da)
2.38
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10BrN
MW 212.09
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.07

Data from ChEMBL 36 via Core Engine