(E)-3-(2-chloroquinolin-3-yl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C21H11N4O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloroquinolin-3-yl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(2-chloroquinolin-3-yl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C21H11N4O2ClS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2[N+]([O-])=O)cs1)=C\c1cc2ccccc2nc1Cl
InChI	InChI=1S/C21H11ClN4O2S/c22-20-15(9-14-3-1-2-4-18(14)24-20)10-16(11-23)21-25-19(12-29-21)13-5-7-17(8-6-13)26(27)28/h1-10,12H
InChIK	NCVMUADTTACZCT-UHFFFAOYSA-N
TotalMolweight	418.863
Molweight	418.863
MonoisotopicMass	418.029123
CLogP	4.0107
CLogS	-6.102
H Acceptors	6
TotalSurfaceArea	306.35
Relative PSA	0.28164
PolarSurfaceArea	123.63
Druglikeness	-6.7352
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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