(E)-3-(7-chloro-4-oxochromen-3-yl)prop-2-enoic acid

Formula:C12H7O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(7-chloro-4-oxochromen-3-yl)prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-(7-chloro-4-oxochromen-3-yl)prop-2-enoic acid
MolecularFormula	C12H7O4Cl
Smiles	OC(/C=C/C1=COc(cc(cc2)Cl)c2C1=O)=O
InChI	InChI=1S/C12H7ClO4/c13-8-2-3-9-10(5-8)17-6-7(12(9)16)1-4-11(14)15/h1-6H,(H,14,15)
InChIK	QCNCVLADWPZYBY-UHFFFAOYSA-N
TotalMolweight	250.637
Molweight	250.637
MonoisotopicMass	250.003287
CLogP	1.8356
CLogS	-3.305
H Acceptors	4
H Donors	1
TotalSurfaceArea	178.24
Relative PSA	0.27592
PolarSurfaceArea	63.6
Druglikeness	1.3776
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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