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

Formula:C18H15N4O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-N-[(4-bromophenyl)methoxy]-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine is a drug-like molecule.

MolName	(E)-N-[(4-bromophenyl)methoxy]-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine
MolecularFormula	C18H15N4O2Br
Smiles	Brc1ccc(CO/N=C2\c(cccc3)c3OCC2n2ncnc2)cc1
InChI	InChI=1S/C18H15BrN4O2/c19-14-7-5-13(6-8-14)9-25-22-18-15-3-1-2-4-17(15)24-10-16(18)23-12-20-11-21-23/h1-8,11-12,16H,9-10H2/t16-/m0/s1
InChIK	NLIIOAWAOSSIPE-INIZCTEOSA-N
TotalMolweight	399.247
Molweight	399.247
MonoisotopicMass	398.037837
CLogP	4.0346
CLogS	-4.396
H Acceptors	6
TotalSurfaceArea	267.62
Relative PSA	0.22539
PolarSurfaceArea	61.53
Druglikeness	2.2222
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
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-[(4-bromophenyl)methoxy]-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine | 2 - (E)-N-[(4-bromophenyl)methoxy]-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine

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