(E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chloro-5-nitroanilino)prop-2-enenitrile

Formula:C16H8N4O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chloro-5-nitroanilino)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chloro-5-nitroanilino)prop-2-enenitrile
MolecularFormula	C16H8N4O3Cl2
Smiles	N#C/C(/c1nc(cc(cc2)Cl)c2o1)=C\Nc(cc(cc1)[N+]([O-])=O)c1Cl
InChI	InChI=1S/C16H8Cl2N4O3/c17-10-1-4-15-14(5-10)21-16(25-15)9(7-19)8-20-13-6-11(22(23)24)2-3-12(13)18/h1-6,8,20H
InChIK	FOTDSPFJPQPKCK-UHFFFAOYSA-N
TotalMolweight	375.171
Molweight	375.171
MonoisotopicMass	373.997345
CLogP	2.695
CLogS	-5.636
H Acceptors	7
H Donors	1
TotalSurfaceArea	268.46
Relative PSA	0.29993
PolarSurfaceArea	107.67
Druglikeness	-9.3572
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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