3-(5-bromo-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide

Formula:C19H19N2O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-(5-bromo-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide is a drug-like molecule.

MolName	3-(5-bromo-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
MolecularFormula	C19H19N2O3Br
Smiles	CCC(Nc(cc1)ccc1NC(C=Cc(cc(cc1)Br)c1OC)=O)=O
InChI	InChI=1S/C19H19BrN2O3/c1-3-18(23)21-15-6-8-16(9-7-15)22-19(24)11-4-13-12-14(20)5-10-17(13)25-2/h4-12H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIK	QBTPBNZTDZPOMH-UHFFFAOYSA-N
TotalMolweight	403.275
Molweight	403.275
MonoisotopicMass	402.057904
CLogP	3.9496
CLogS	-4.962
H Acceptors	5
H Donors	2
TotalSurfaceArea	284.85
Relative PSA	0.20713
PolarSurfaceArea	67.43
Druglikeness	-1.1969
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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