Clonazoline hydrochlorideProduct ingredient for Clonazoline

Name
Clonazoline hydrochloride
Drug Entry
Clonazoline
Accession Number
DBSALT003038
Structure
Synonyms
Clonazoline HCl
External IDs
REC 15/0180
UNII
7WVH15JYKM
CAS Number
23593-08-0
Weight
Average: 281.18
Monoisotopic: 280.0534039
Chemical Formula
C14H14Cl2N2
InChI Key
JOJMOKBPTKPWER-UHFFFAOYSA-N
InChI
InChI=1S/C14H13ClN2.ClH/c15-13-6-5-10(9-14-16-7-8-17-14)11-3-1-2-4-12(11)13;/h1-6H,7-9H2,(H,16,17);1H
IUPAC Name
2-[(4-chloronaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole hydrochloride
SMILES
Cl.ClC1=C2C=CC=CC2=C(CC2=NCCN2)C=C1
ChemSpider
21172911
Predicted Properties
PropertyValueSource
Water Solubility0.0116 mg/mLALOGPS
logP3.73ALOGPS
logP2.8Chemaxon
logS-4.3ALOGPS
pKa (Strongest Basic)10.18Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area24.39 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity70.32 m3·mol-1Chemaxon
Polarizability26 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon