(Z)-3-[(4-bromonaphthalen-1-yl)amino]-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal

Formula:C20H12N2O2BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-3-[(4-bromonaphthalen-1-yl)amino]-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal is a drug-like molecule.

MolName	(Z)-3-[(4-bromonaphthalen-1-yl)amino]-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal
MolecularFormula	C20H12N2O2BrCl
Smiles	O=C/C(/c1nc(cc(cc2)Cl)c2o1)=C\Nc(c1ccccc11)ccc1Br
InChI	InChI=1S/C20H12BrClN2O2/c21-16-6-7-17(15-4-2-1-3-14(15)16)23-10-12(11-25)20-24-18-9-13(22)5-8-19(18)26-20/h1-11,23H
InChIK	OBWKECPGJQTLIR-UHFFFAOYSA-N
TotalMolweight	427.684
Molweight	427.684
MonoisotopicMass	425.977066
CLogP	4.5456
CLogS	-6.44
H Acceptors	4
H Donors	1
TotalSurfaceArea	280.43
Relative PSA	0.1768
PolarSurfaceArea	55.13
Druglikeness	-3.9008
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Aromatic Nitrogens	1
StereoCon

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1 - (Z)-3-[(4-bromonaphthalen-1-yl)amino]-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal | 2 - (Z)-3-[(4-bromonaphthalen-1-yl)amino]-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal

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