N-[3-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]-6-nitro-2-oxochromene-3-carboxamide

Formula:C25H15N2O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[3-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]-6-nitro-2-oxochromene-3-carboxamide is not a drug-like molecule.

MolName	N-[3-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]-6-nitro-2-oxochromene-3-carboxamide
MolecularFormula	C25H15N2O6Br
Smiles	[O-][N+](c(cc1)cc(C=C2C(Nc3cccc(C(/C=C/c(cc4)ccc4Br)=O)c3)=O)c1OC2=O)=O
InChI	InChI=1S/C25H15BrN2O6/c26-18-7-4-15(5-8-18)6-10-22(29)16-2-1-3-19(12-16)27-24(30)21-14-17-13-20(28(32)33)9-11-23(17)34-25(21)31/h1-14H,(H,27,30)
InChIK	PIRZFTXXPKTVPX-UHFFFAOYSA-N
TotalMolweight	519.306
Molweight	519.306
MonoisotopicMass	518.011349
CLogP	3.7715
CLogS	-6.986
H Acceptors	8
H Donors	1
TotalSurfaceArea	347.5
Relative PSA	0.26187
PolarSurfaceArea	118.29
Druglikeness	-5.9502
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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