[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-phenylmethanone

Formula:C23H20N2O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-phenylmethanone is a drug-like molecule.

MolName	[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-phenylmethanone
MolecularFormula	C23H20N2O3
Smiles	O=C(c1ccccc1)N(C(C1CCC2)c3ccco3)N=C1/C2=C/c1ccco1
InChI	InChI=1S/C23H20N2O3/c26-23(16-7-2-1-3-8-16)25-22(20-12-6-14-28-20)19-11-4-9-17(21(19)24-25)15-18-10-5-13-27-18/h1-3,5-8,10,12-15,19,22H,4,9,11H2
InChIK	QUUYESKGEOQVTG-UHFFFAOYSA-N
TotalMolweight	372.423
Molweight	372.423
MonoisotopicMass	372.147393
CLogP	4.2339
CLogS	-4.936
H Acceptors	5
TotalSurfaceArea	287.17
Relative PSA	0.19612
PolarSurfaceArea	58.95
Druglikeness	0.38152
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	2
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	2
StereoCon	unknown chirality

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