[(E)-3,4,6,7,8,9-hexahydro-2H-dibenzofuran-1-ylideneamino] (E)-3-phenylprop-2-enoate

Formula:C21H21NO3 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-3,4,6,7,8,9-hexahydro-2H-dibenzofuran-1-ylideneamino] (E)-3-phenylprop-2-enoate is not a drug-like molecule.

MolName	[(E)-3,4,6,7,8,9-hexahydro-2H-dibenzofuran-1-ylideneamino] (E)-3-phenylprop-2-enoate
MolecularFormula	C21H21NO3
Smiles	O=C(/C=C/c1ccccc1)O/N=C(\CCC1)/c2c1oc1c2CCCC1
InChI	InChI=1S/C21H21NO3/c23-20(14-13-15-7-2-1-3-8-15)25-22-17-10-6-12-19-21(17)16-9-4-5-11-18(16)24-19/h1-3,7-8,13-14H,4-6,9-12H2
InChIK	PNFNZYFJQNNRPV-UHFFFAOYSA-N
TotalMolweight	335.402
Molweight	335.402
MonoisotopicMass	335.152144
CLogP	5.3195
CLogS	-5.888
H Acceptors	4
TotalSurfaceArea	269.25
Relative PSA	0.18072
PolarSurfaceArea	51.8
Druglikeness	-7.9002
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	2
StereoCon

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1 - [(E)-3,4,6,7,8,9-hexahydro-2H-dibenzofuran-1-ylideneamino] (E)-3-phenylprop-2-enoate | 2 - [(E)-3,4,6,7,8,9-hexahydro-2H-dibenzofuran-1-ylideneamino] (E)-3-phenylprop-2-enoate

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