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

Formula:C18H14N4O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[(2,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-imine is a drug-like molecule.

MolName	(E)-N-[(2,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-imine
MolecularFormula	C18H14N4O2Cl2
Smiles	Clc1cc(Cl)c(CO/N=C2\c(cccc3)c3OCC2n2cnnc2)cc1
InChI	InChI=1S/C18H14Cl2N4O2/c19-13-6-5-12(15(20)7-13)8-26-23-18-14-3-1-2-4-17(14)25-9-16(18)24-10-21-22-11-24/h1-7,10-11,16H,8-9H2/t16-/m0/s1
InChIK	SJSIPWKYGBSEAV-INIZCTEOSA-N
TotalMolweight	389.241
Molweight	389.241
MonoisotopicMass	388.04938
CLogP	4.4855
CLogS	-4.503
H Acceptors	6
TotalSurfaceArea	279.83
Relative PSA	0.21556
PolarSurfaceArea	61.53
Druglikeness	3.6139
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
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)-N-[(2,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-imine | 2 - (E)-N-[(2,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-imine

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