3-amino-5-[(Z)-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile

Formula:C18H9N5OClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-amino-5-[(Z)-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile is a drug-like molecule.

MolName	3-amino-5-[(Z)-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
MolecularFormula	C18H9N5OClF3
Smiles	Nc1n[nH]c(/C(/C#N)=C/c2ccc(-c(cc(C(F)(F)F)cc3)c3Cl)o2)c1C#N
InChI	InChI=1S/C18H9ClF3N5O/c19-14-3-1-10(18(20,21)22)6-12(14)15-4-2-11(28-15)5-9(7-23)16-13(8-24)17(25)27-26-16/h1-6H,(H3,25,26,27)
InChIK	BONIQQZSVZERBL-UHFFFAOYSA-N
TotalMolweight	403.75
Molweight	403.75
MonoisotopicMass	403.044771
CLogP	3.1831
CLogS	-6.574
H Acceptors	6
H Donors	2
TotalSurfaceArea	292.33
Relative PSA	0.27866
PolarSurfaceArea	115.42
Druglikeness	-8.4943
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - 3-amino-5-[(Z)-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile | 2 - 3-amino-5-[(Z)-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile

Request More Details | 3-amino-5-[(Z)-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments