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

Formula:C16H10N2O2BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(3-bromoanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal is a drug-like molecule.

MolName	(Z)-3-(3-bromoanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal
MolecularFormula	C16H10N2O2BrCl
Smiles	O=C/C(/c1nc(cc(cc2)Cl)c2o1)=C\Nc1cccc(Br)c1
InChI	InChI=1S/C16H10BrClN2O2/c17-11-2-1-3-13(6-11)19-8-10(9-21)16-20-14-7-12(18)4-5-15(14)22-16/h1-9,19H
InChIK	QZHFDOZTDMIZHK-UHFFFAOYSA-N
TotalMolweight	377.624
Molweight	377.624
MonoisotopicMass	375.961416
CLogP	3.3512
CLogS	-4.834
H Acceptors	4
H Donors	1
TotalSurfaceArea	245.83
Relative PSA	0.20168
PolarSurfaceArea	55.13
Druglikeness	-3.9008
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Aromatic Nitrogens	1
StereoCon

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