N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine

Formula:C22H12N3OCl3S Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine is not a drug-like molecule.

MolName	N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine
MolecularFormula	C22H12N3OCl3S
Smiles	Clc(cc1)ccc1C(Oc(c1cc(Cl)c2)c2Cl)=C/C1=N\Nc1nc(cccc2)c2s1
InChI	InChI=1S/C22H12Cl3N3OS/c23-13-7-5-12(6-8-13)19-11-18(15-9-14(24)10-16(25)21(15)29-19)27-28-22-26-17-3-1-2-4-20(17)30-22/h1-11H,(H,26,28)
InChIK	FGHLWQGVJYWVFL-UHFFFAOYSA-N
TotalMolweight	472.782
Molweight	472.782
MonoisotopicMass	470.976663
CLogP	9.2412
CLogS	-8.128
H Acceptors	4
H Donors	1
TotalSurfaceArea	323.98
Relative PSA	0.19847
PolarSurfaceArea	74.75
Druglikeness	1.9465
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
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

Click to Load Molecule:

1 - N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine | 2 - N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine

Request More Details | N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments