N-[(Z)-[1-[3-(4-chlorophenoxy)propyl]pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine

Formula:C21H19N4OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[1-[3-(4-chlorophenoxy)propyl]pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.

MolName	N-[(Z)-[1-[3-(4-chlorophenoxy)propyl]pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
MolecularFormula	C21H19N4OClS
Smiles	Clc(cc1)ccc1OCCCn1c(/C=N\Nc2nc(cccc3)c3s2)ccc1
InChI	InChI=1S/C21H19ClN4OS/c22-16-8-10-18(11-9-16)27-14-4-13-26-12-3-5-17(26)15-23-25-21-24-19-6-1-2-7-20(19)28-21/h1-3,5-12,15H,4,13-14H2,(H,24,25)
InChIK	YWWMWGYCXRUUJP-UHFFFAOYSA-N
TotalMolweight	410.928
Molweight	410.928
MonoisotopicMass	410.096808
CLogP	6.8877
CLogS	-4.788
H Acceptors	5
H Donors	1
TotalSurfaceArea	314.2
Relative PSA	0.22651
PolarSurfaceArea	79.68
Druglikeness	4.5533
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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