2-[(2Z)-2-hydroxyiminoethyl]anthracene-9,10-dione

Formula:C16H11NO3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[(2Z)-2-hydroxyiminoethyl]anthracene-9,10-dione is a drug-like molecule.

MolName	2-[(2Z)-2-hydroxyiminoethyl]anthracene-9,10-dione
MolecularFormula	C16H11NO3
Smiles	O/N=C\Cc(cc1)cc(C(c2c3cccc2)=O)c1C3=O
InChI	InChI=1S/C16H11NO3/c18-15-11-3-1-2-4-12(11)16(19)14-9-10(7-8-17-20)5-6-13(14)15/h1-6,8-9,20H,7H2
InChIK	MBDVNMDOGAEWAC-UHFFFAOYSA-N
TotalMolweight	265.267
Molweight	265.267
MonoisotopicMass	265.073894
CLogP	3.2753
CLogS	-5.316
H Acceptors	4
H Donors	1
TotalSurfaceArea	199.89
Relative PSA	0.25359
PolarSurfaceArea	66.73
Druglikeness	-0.32394
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
StereoCon

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