N-[4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide

Formula:C20H14N3O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
MolecularFormula	C20H14N3O5Cl
Smiles	[O-][N+](c(cc(/C=C/C(Nc(cc1)ccc1NC(c1ccco1)=O)=O)cc1)c1Cl)=O
InChI	InChI=1S/C20H14ClN3O5/c21-16-9-3-13(12-17(16)24(27)28)4-10-19(25)22-14-5-7-15(8-6-14)23-20(26)18-2-1-11-29-18/h1-12H,(H,22,25)(H,23,26)
InChIK	RQMBYUZOUWZKTB-UHFFFAOYSA-N
TotalMolweight	411.8
Molweight	411.8
MonoisotopicMass	411.062199
CLogP	3.1569
CLogS	-5.888
H Acceptors	8
H Donors	2
TotalSurfaceArea	306.48
Relative PSA	0.30517
PolarSurfaceArea	117.16
Druglikeness	-4.8457
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide | 2 - N-[4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide

Request More Details | N-[4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments