(E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide

Formula:C15H15N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
MolecularFormula	C15H15N3O5
Smiles	N#C/C(/C(NCC1OCCC1)=O)=C\c(cc1)cc([N+]([O-])=O)c1O
InChI	InChI=1S/C15H15N3O5/c16-8-11(15(20)17-9-12-2-1-5-23-12)6-10-3-4-14(19)13(7-10)18(21)22/h3-4,6-7,12,19H,1-2,5,9H2,(H,17,20)/t12-/m1/s1
InChIK	QVTPDLRVQSBYEL-GFCCVEGCSA-N
TotalMolweight	317.3
Molweight	317.3
MonoisotopicMass	317.101172
CLogP	0.3121
CLogS	-3.112
H Acceptors	8
H Donors	2
TotalSurfaceArea	242.95
Relative PSA	0.37695
PolarSurfaceArea	128.17
Druglikeness	-7.5204
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Amides	1
AcidicOxygens	1
StereoCon	racemate

Click to Load Molecule:

1 - (E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide | 2 - (E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide

Request More Details | (E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments