N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine

Formula:C21H16N3OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.

MolName	N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
MolecularFormula	C21H16N3OBrS
Smiles	Brc1ccc(COc2c(/C=N\Nc3nc(cccc4)c4s3)cccc2)cc1
InChI	InChI=1S/C21H16BrN3OS/c22-17-11-9-15(10-12-17)14-26-19-7-3-1-5-16(19)13-23-25-21-24-18-6-2-4-8-20(18)27-21/h1-13H,14H2,(H,24,25)
InChIK	HMOHOKMTXDYJBL-UHFFFAOYSA-N
TotalMolweight	438.348
Molweight	438.348
MonoisotopicMass	437.019743
CLogP	7.7166
CLogS	-6.291
H Acceptors	4
H Donors	1
TotalSurfaceArea	300.69
Relative PSA	0.21384
PolarSurfaceArea	74.75
Druglikeness	0.25156
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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