(Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-hydroxy-5-nitroanilino)prop-2-enal

Formula:C16H10N3O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-hydroxy-5-nitroanilino)prop-2-enal is a drug-like molecule.

MolName	(Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-hydroxy-5-nitroanilino)prop-2-enal
MolecularFormula	C16H10N3O5Cl
Smiles	[O-][N+](c(cc1)cc(N/C=C(\C=O)/c2nc(cc(cc3)Cl)c3o2)c1O)=O
InChI	InChI=1S/C16H10ClN3O5/c17-10-1-4-15-13(5-10)19-16(25-15)9(8-21)7-18-12-6-11(20(23)24)2-3-14(12)22/h1-8,18,22H
InChIK	MZIOACKUPMJWRR-UHFFFAOYSA-N
TotalMolweight	359.724
Molweight	359.724
MonoisotopicMass	359.030899
CLogP	1.3587
CLogS	-4.164
H Acceptors	8
H Donors	2
TotalSurfaceArea	257.22
Relative PSA	0.36195
PolarSurfaceArea	121.18
Druglikeness	-7.1166
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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