(2E)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one

Formula:C24H18N2OS Mutagenic:none Tumorigenic:none Reproductive Effective:high (2E)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one is a drug-like molecule.

MolName	(2E)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one
MolecularFormula	C24H18N2OS
Smiles	O=C(/C(/CC1)=C/c2cn(-c3ccccc3)nc2-c2cccs2)c2c1cccc2
InChI	InChI=1S/C24H18N2OS/c27-24-18(13-12-17-7-4-5-10-21(17)24)15-19-16-26(20-8-2-1-3-9-20)25-23(19)22-11-6-14-28-22/h1-11,14-16H,12-13H2
InChIK	HUJSXGBZLCTSBE-UHFFFAOYSA-N
TotalMolweight	382.486
Molweight	382.486
MonoisotopicMass	382.113983
CLogP	4.9553
CLogS	-5.717
H Acceptors	3
TotalSurfaceArea	292.92
Relative PSA	0.17493
PolarSurfaceArea	63.13
Druglikeness	3.8915
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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