Structure

InChI Key CVKNDPRBJVBDSS-UHFFFAOYSA-N
Smile Cc1ncc2c(c1O)COC2c1ccc(Cl)cc1
InChI
InChI=1S/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12ClNO2
Molecular Weight 261.71
AlogP 3.37
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 42.35
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension, Pulmonary 2 D006976 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 89943-82-8
ChEBI 135078
ChEMBL CHEMBL191886
DrugBank DB12766
DrugCentral 634
FDA SRS CHG7QC509W
PubChem 54910
SureChEMBL SCHEMBL49794