(2-cyanophenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C18H13NO4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2-cyanophenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	(2-cyanophenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C18H13NO4
Smiles	N#Cc1c(COC(/C=C/c(cc2)cc3c2OCO3)=O)cccc1
InChI	InChI=1S/C18H13NO4/c19-10-14-3-1-2-4-15(14)11-21-18(20)8-6-13-5-7-16-17(9-13)23-12-22-16/h1-9H,11-12H2
InChIK	ZPUMCAVUSJMOEU-UHFFFAOYSA-N
TotalMolweight	307.304
Molweight	307.304
MonoisotopicMass	307.084459
CLogP	3.2669
CLogS	-4.934
H Acceptors	5
TotalSurfaceArea	243
Relative PSA	0.23292
PolarSurfaceArea	68.55
Druglikeness	-7.2615
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
StereoCon

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