4-[(E)-2-naphthalen-1-ylethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline

Formula:C29H21NOS Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[(E)-2-naphthalen-1-ylethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline is not a drug-like molecule.

MolName	4-[(E)-2-naphthalen-1-ylethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline
MolecularFormula	C29H21NOS
Smiles	C1c(c(/C=C/c2cccc3ccccc23)nc(c2c3)ccc3Oc3ccccc3)c2SC1
InChI	InChI=1S/C29H21NOS/c1-2-10-22(11-3-1)31-23-14-16-28-26(19-23)29-25(17-18-32-29)27(30-28)15-13-21-9-6-8-20-7-4-5-12-24(20)21/h1-16,19H,17-18H2
InChIK	VAUIUPSCHUNFDN-UHFFFAOYSA-N
TotalMolweight	431.558
Molweight	431.558
MonoisotopicMass	431.134384
CLogP	6.6741
CLogS	-9.514
H Acceptors	2
TotalSurfaceArea	328.75
Relative PSA	0.11699
PolarSurfaceArea	47.42
Druglikeness	-0.90667
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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1 - 4-[(E)-2-naphthalen-1-ylethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline | 2 - 4-[(E)-2-naphthalen-1-ylethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline

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