(7E)-7-(furan-2-ylmethylidene)-3-(3-nitrophenyl)-2,3,3a,4,5,6-hexahydroindazole

Formula:C18H17N3O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none (7E)-7-(furan-2-ylmethylidene)-3-(3-nitrophenyl)-2,3,3a,4,5,6-hexahydroindazole is a drug-like molecule.

MolName	(7E)-7-(furan-2-ylmethylidene)-3-(3-nitrophenyl)-2,3,3a,4,5,6-hexahydroindazole
MolecularFormula	C18H17N3O3
Smiles	[O-][N+](c1cc(C(C2CCC3)NN=C2/C3=C/c2ccco2)ccc1)=O
InChI	InChI=1S/C18H17N3O3/c22-21(23)14-6-1-4-12(10-14)17-16-8-2-5-13(18(16)20-19-17)11-15-7-3-9-24-15/h1,3-4,6-7,9-11,16-17,19H,2,5,8H2
InChIK	WEGBXOIQAUTKCU-UHFFFAOYSA-N
TotalMolweight	323.351
Molweight	323.351
MonoisotopicMass	323.126992
CLogP	2.6054
CLogS	-4.767
H Acceptors	6
H Donors	1
TotalSurfaceArea	244.8
Relative PSA	0.27574
PolarSurfaceArea	83.35
Druglikeness	-6.1147
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54167
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	11
Sp3Atoms	7
AcidicOxygens	1
StereoCon	unknown chirality

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