(2E,4E)-5-[(8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl)amino]penta-2,4-dienal

Formula:C19H12N2O3 Mutagenic:low Tumorigenic:high Reproductive Effective:high (2E,4E)-5-[(8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl)amino]penta-2,4-dienal is a drug-like molecule.

MolName	(2E,4E)-5-[(8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl)amino]penta-2,4-dienal
MolecularFormula	C19H12N2O3
Smiles	O=C/C=C/C=C/Nc(ccc1noc(-c2c3cccc2)c11)c1C3=O
InChI	InChI=1S/C19H12N2O3/c22-11-5-1-4-10-20-14-8-9-15-17-16(14)18(23)12-6-2-3-7-13(12)19(17)24-21-15/h1-11,20H
InChIK	DGBMSXGUKNUJGL-UHFFFAOYSA-N
TotalMolweight	316.315
Molweight	316.315
MonoisotopicMass	316.084793
CLogP	2.773
CLogS	-5.88
H Acceptors	5
H Donors	1
TotalSurfaceArea	244.32
Relative PSA	0.2563
PolarSurfaceArea	72.2
Druglikeness	-0.84612
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Aromatic Nitrogens	1
StereoCon

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1 - (2E,4E)-5-[(8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl)amino]penta-2,4-dienal | 2 - (2E,4E)-5-[(8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl)amino]penta-2,4-dienal

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