4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline

Formula:C25H17NOCl2S Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline is not a drug-like molecule.

MolName	4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline
MolecularFormula	C25H17NOCl2S
Smiles	Clc1cc(Cl)c(/C=C/c(c2c(c3c4)SCC2)nc3ccc4Oc2ccccc2)cc1
InChI	InChI=1S/C25H17Cl2NOS/c26-17-8-6-16(22(27)14-17)7-10-23-20-12-13-30-25(20)21-15-19(9-11-24(21)28-23)29-18-4-2-1-3-5-18/h1-11,14-15H,12-13H2
InChIK	UHGWLMQUCVTZIW-UHFFFAOYSA-N
TotalMolweight	450.388
Molweight	450.388
MonoisotopicMass	449.040788
CLogP	6.6917
CLogS	-9.38
H Acceptors	2
TotalSurfaceArea	324.99
Relative PSA	0.11834
PolarSurfaceArea	47.42
Druglikeness	-0.7825
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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

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