prop-2-ynyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate

Formula:C21H17NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none prop-2-ynyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate is a drug-like molecule.

MolName	prop-2-ynyl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate
MolecularFormula	C21H17NO3
Smiles	C#CCOC(/C(/NC(c1ccccc1)=O)=C\C=C\c1ccccc1)=O
InChI	InChI=1S/C21H17NO3/c1-2-16-25-21(24)19(15-9-12-17-10-5-3-6-11-17)22-20(23)18-13-7-4-8-14-18/h1,3-15H,16H2,(H,22,23)
InChIK	BCHBWZJOUDAPIO-UHFFFAOYSA-N
TotalMolweight	331.37
Molweight	331.37
MonoisotopicMass	331.120844
CLogP	3.8731
CLogS	-4.438
H Acceptors	4
H Donors	1
TotalSurfaceArea	278.76
Relative PSA	0.17054
PolarSurfaceArea	55.4
Druglikeness	2.7496
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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