3-[3-(1H-benzimidazol-2-yl)-6-chloro-7-hydroxy-4-oxochromen-2-yl]propanoic acid

Formula:C19H13N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[3-(1H-benzimidazol-2-yl)-6-chloro-7-hydroxy-4-oxochromen-2-yl]propanoic acid is a drug-like molecule.

MolName	3-[3-(1H-benzimidazol-2-yl)-6-chloro-7-hydroxy-4-oxochromen-2-yl]propanoic acid
MolecularFormula	C19H13N2O5Cl
Smiles	OC(CCC(Oc(c1c2)cc(O)c2Cl)=C(c2nc(cccc3)c3[nH]2)C1=O)=O
InChI	InChI=1S/C19H13ClN2O5/c20-10-7-9-15(8-13(10)23)27-14(5-6-16(24)25)17(18(9)26)19-21-11-3-1-2-4-12(11)22-19/h1-4,7-8,23H,5-6H2,(H,21,22)(H,24,25)
InChIK	PUCIMLPGGHNSKI-UHFFFAOYSA-N
TotalMolweight	384.774
Molweight	384.774
MonoisotopicMass	384.0513
CLogP	2.5449
CLogS	-3.821
H Acceptors	7
H Donors	3
TotalSurfaceArea	266.51
Relative PSA	0.32734
PolarSurfaceArea	112.51
Druglikeness	0.54294
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	5
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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