2-chloro-1-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone

Formula:C18H17N2OClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-chloro-1-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone is a drug-like molecule.

MolName	2-chloro-1-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone
MolecularFormula	C18H17N2OClS2
Smiles	O=C(CCl)N(C(C1CCC2)c3cccs3)N=C1/C2=C\c1cccs1
InChI	InChI=1S/C18H17ClN2OS2/c19-11-16(22)21-18(15-7-3-9-24-15)14-6-1-4-12(17(14)20-21)10-13-5-2-8-23-13/h2-3,5,7-10,14,18H,1,4,6,11H2
InChIK	CHKHGJBMVRVZGK-UHFFFAOYSA-N
TotalMolweight	376.931
Molweight	376.931
MonoisotopicMass	376.04708
CLogP	4.3752
CLogS	-4.823
H Acceptors	3
TotalSurfaceArea	269.09
Relative PSA	0.25575
PolarSurfaceArea	89.15
Druglikeness	2.07
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	2
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	6
StereoCon	unknown chirality

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1 - 2-chloro-1-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone | 2 - 2-chloro-1-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone

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