Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5B1UZF65WW

Structure

InChI Key JFRLWWDJCFYFSU-UHFFFAOYSA-N
Smile CN(C)CCCC1c2ccccc2Nc2ccc(Cl)cc21
InChI
InChI=1S/C18H21ClN2/c1-21(2)11-5-7-14-15-6-3-4-8-17(15)20-18-10-9-13(19)12-16(14)18/h3-4,6,8-10,12,14,20H,5,7,11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21ClN2
Molecular Weight 300.83
AlogP 4.87
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 15.27
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135273
ChEMBL CHEMBL1615350
DrugCentral 3717
FDA SRS 5B1UZF65WW
PubChem 21382
SureChEMBL SCHEMBL145026