4-[(E)-3-(benzotriazol-1-yl)prop-1-enyl]morpholine

Formula:C13H16N4O Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[(E)-3-(benzotriazol-1-yl)prop-1-enyl]morpholine is a drug-like molecule.

MolName	4-[(E)-3-(benzotriazol-1-yl)prop-1-enyl]morpholine
MolecularFormula	C13H16N4O
Smiles	C(/C=C/N1CCOCC1)n1nnc2c1cccc2
InChI	InChI=1S/C13H16N4O/c1-2-5-13-12(4-1)14-15-17(13)7-3-6-16-8-10-18-11-9-16/h1-6H,7-11H2
InChIK	NYNNOCVMAJATIQ-UHFFFAOYSA-N
TotalMolweight	244.297
Molweight	244.297
MonoisotopicMass	244.132411
CLogP	0.5334
CLogS	-1.457
H Acceptors	5
TotalSurfaceArea	196.68
Relative PSA	0.21538
PolarSurfaceArea	43.18
Druglikeness	-2.5247
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	7
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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