N-[(E)-[6-chloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine

Formula:C22H13N3OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[6-chloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine is not a drug-like molecule.

MolName	N-[(E)-[6-chloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine
MolecularFormula	C22H13N3OCl2S
Smiles	Clc(cc1)ccc1C(Oc(cc1)c2cc1Cl)=C/C2=N\Nc1nc(cccc2)c2s1
InChI	InChI=1S/C22H13Cl2N3OS/c23-14-7-5-13(6-8-14)20-12-18(16-11-15(24)9-10-19(16)28-20)26-27-22-25-17-3-1-2-4-21(17)29-22/h1-12H,(H,25,27)
InChIK	OGCYFDCLPWSASM-UHFFFAOYSA-N
TotalMolweight	438.337
Molweight	438.337
MonoisotopicMass	437.015636
CLogP	8.6352
CLogS	-7.392
H Acceptors	4
H Donors	1
TotalSurfaceArea	308.56
Relative PSA	0.20839
PolarSurfaceArea	74.75
Druglikeness	1.9465
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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