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

Formula:C25H21N4OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.

MolName	N-[(Z)-[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
MolecularFormula	C25H21N4OClS
Smiles	Clc(cccc1)c1OCCCn1c(cccc2)c2c(/C=N\Nc2nc(cccc3)c3s2)c1
InChI	InChI=1S/C25H21ClN4OS/c26-20-9-2-5-12-23(20)31-15-7-14-30-17-18(19-8-1-4-11-22(19)30)16-27-29-25-28-21-10-3-6-13-24(21)32-25/h1-6,8-13,16-17H,7,14-15H2,(H,28,29)
InChIK	JDIMBFLXYRQEIH-UHFFFAOYSA-N
TotalMolweight	460.988
Molweight	460.988
MonoisotopicMass	460.112458
CLogP	8.1506
CLogS	-6.265
H Acceptors	5
H Donors	1
TotalSurfaceArea	348.8
Relative PSA	0.20404
PolarSurfaceArea	79.68
Druglikeness	4.0785
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	4
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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