5-amino-3-[(Z)-2-(4-bromo-3-nitrophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Formula:C15H11N6O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-2-(4-bromo-3-nitrophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-2-(4-bromo-3-nitrophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
MolecularFormula	C15H11N6O3Br
Smiles	Nc(n(CCO)nc1/C(/C#N)=C/c(cc2)cc([N+]([O-])=O)c2Br)c1C#N
InChI	InChI=1S/C15H11BrN6O3/c16-12-2-1-9(6-13(12)22(24)25)5-10(7-17)14-11(8-18)15(19)21(20-14)3-4-23/h1-2,5-6,23H,3-4,19H2
InChIK	UPAUPYYKAZNYOW-UHFFFAOYSA-N
TotalMolweight	403.195
Molweight	403.195
MonoisotopicMass	402.0076
CLogP	0.0915
CLogS	-4.586
H Acceptors	9
H Donors	2
TotalSurfaceArea	273.8
Relative PSA	0.37893
PolarSurfaceArea	157.47
Druglikeness	-7.5769
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 5-amino-3-[(Z)-2-(4-bromo-3-nitrophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile | 2 - 5-amino-3-[(Z)-2-(4-bromo-3-nitrophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Request More Details | 5-amino-3-[(Z)-2-(4-bromo-3-nitrophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments