(E)-7-chloro-N-[(2,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-imine

Formula:C18H13N4O2Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-7-chloro-N-[(2,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-imine is not a drug-like molecule.

MolName	(E)-7-chloro-N-[(2,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-imine
MolecularFormula	C18H13N4O2Cl3
Smiles	Clc(cc1)cc(OCC2n3cnnc3)c1/C2=N\OCc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C18H13Cl3N4O2/c19-12-2-1-11(15(21)5-12)7-27-24-18-14-4-3-13(20)6-17(14)26-8-16(18)25-9-22-23-10-25/h1-6,9-10,16H,7-8H2/t16-/m0/s1
InChIK	YFCJIKIUIJBTDT-INIZCTEOSA-N
TotalMolweight	423.686
Molweight	423.686
MonoisotopicMass	422.010407
CLogP	5.0915
CLogS	-5.239
H Acceptors	6
TotalSurfaceArea	295.25
Relative PSA	0.2043
PolarSurfaceArea	61.53
Druglikeness	3.6139
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon	racemate

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1 - (E)-7-chloro-N-[(2,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-imine | 2 - (E)-7-chloro-N-[(2,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-imine

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