(E)-4-[(7-fluoro-9-oxofluoren-2-yl)amino]-4-oxobut-2-enoic acid

Formula:C17H10NO4F Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-4-[(7-fluoro-9-oxofluoren-2-yl)amino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[(7-fluoro-9-oxofluoren-2-yl)amino]-4-oxobut-2-enoic acid
MolecularFormula	C17H10NO4F
Smiles	OC(/C=C/C(Nc(cc1)cc2c1-c(ccc(F)c1)c1C2=O)=O)=O
InChI	InChI=1S/C17H10FNO4/c18-9-1-3-11-12-4-2-10(19-15(20)5-6-16(21)22)8-14(12)17(23)13(11)7-9/h1-8H,(H,19,20)(H,21,22)
InChIK	RDYCKZHXTUXBGI-UHFFFAOYSA-N
TotalMolweight	311.267
Molweight	311.267
MonoisotopicMass	311.059387
CLogP	2.3607
CLogS	-5.159
H Acceptors	5
H Donors	2
TotalSurfaceArea	223.43
Relative PSA	0.28501
PolarSurfaceArea	83.47
Druglikeness	0.14298
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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