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Compound Detail

CHEMBL2078722

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O=C1C[N+]2(CCCCC2)c2ccc([N+](=O)[O-])cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2078722
Phase Preclinical
Structure Type MOL
InChI Key NESDVHRCXVFSMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
2.28
ALogP
3
HBA
0
HBD
60.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N2O3+
MW 247.27
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine