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

Formula:C20H19NO2S Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino] (E)-4-phenylbut-3-enoate is a drug-like molecule.

MolName	[(E)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino] (E)-4-phenylbut-3-enoate
MolecularFormula	C20H19NO2S
Smiles	O=C(C/C=C/c1ccccc1)O/N=C1/c(cccc2)c2SCCC1
InChI	InChI=1S/C20H19NO2S/c22-20(14-6-10-16-8-2-1-3-9-16)23-21-18-12-7-15-24-19-13-5-4-11-17(18)19/h1-6,8-11,13H,7,12,14-15H2
InChIK	FIFIQJVOKSPNKR-UHFFFAOYSA-N
TotalMolweight	337.442
Molweight	337.442
MonoisotopicMass	337.113649
CLogP	4.7491
CLogS	-5.937
H Acceptors	3
TotalSurfaceArea	269.27
Relative PSA	0.19326
PolarSurfaceArea	63.96
Druglikeness	-5.1958
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
StereoCon

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