[(Z)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino] (E)-3-phenylprop-2-enoate

Formula:C19H17NO2S Mutagenic:high Tumorigenic:none Reproductive Effective:none [(Z)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino] (E)-3-phenylprop-2-enoate is a drug-like molecule.

MolName	[(Z)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino] (E)-3-phenylprop-2-enoate
MolecularFormula	C19H17NO2S
Smiles	O=C(/C=C/c1ccccc1)O/N=C1\c(cccc2)c2SCCC1
InChI	InChI=1S/C19H17NO2S/c21-19(13-12-15-7-2-1-3-8-15)22-20-17-10-6-14-23-18-11-5-4-9-16(17)18/h1-5,7-9,11-13H,6,10,14H2
InChIK	GVZUTJVKYLQMRY-UHFFFAOYSA-N
TotalMolweight	323.415
Molweight	323.415
MonoisotopicMass	323.097999
CLogP	4.2947
CLogS	-5.667
H Acceptors	3
TotalSurfaceArea	255.51
Relative PSA	0.20367
PolarSurfaceArea	63.96
Druglikeness	-3.8408
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
StereoCon

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