3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol

Formula:C13H11N2O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol is a drug-like molecule.

MolName	3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
MolecularFormula	C13H11N2O3F3
Smiles	OC(C1)(C(F)(F)F)NN=C1/C=C/c(cc1)cc2c1OCO2
InChI	InChI=1S/C13H11F3N2O3/c14-13(15,16)12(19)6-9(17-18-12)3-1-8-2-4-10-11(5-8)21-7-20-10/h1-5,18-19H,6-7H2/t12-/m0/s1
InChIK	VOCGSTDFDBTNDA-LBPRGKRZSA-N
TotalMolweight	300.235
Molweight	300.235
MonoisotopicMass	300.072177
CLogP	2.6973
CLogS	-4.403
H Acceptors	5
H Donors	2
TotalSurfaceArea	200.93
Relative PSA	0.27905
PolarSurfaceArea	63.08
Druglikeness	-8.3371
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
StereoCon	racemate

Click to Load Molecule:

1 - 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol | 2 - 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol

Request More Details | 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments