8-bromo-3-[(Z)-pyridin-4-ylmethylideneamino]-5H-pyrimido[5,4-b]indol-4-one

Formula:C16H10N5OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none 8-bromo-3-[(Z)-pyridin-4-ylmethylideneamino]-5H-pyrimido[5,4-b]indol-4-one is a drug-like molecule.

MolName	8-bromo-3-[(Z)-pyridin-4-ylmethylideneamino]-5H-pyrimido[5,4-b]indol-4-one
MolecularFormula	C16H10N5OBr
Smiles	O=C(c([nH]c(cc1)c2cc1Br)c2N=C1)N1/N=C\c1ccncc1
InChI	InChI=1S/C16H10BrN5O/c17-11-1-2-13-12(7-11)14-15(21-13)16(23)22(9-19-14)20-8-10-3-5-18-6-4-10/h1-9,21H
InChIK	PPZRSYOLZCVKJZ-UHFFFAOYSA-N
TotalMolweight	368.193
Molweight	368.193
MonoisotopicMass	367.006871
CLogP	2.2897
CLogS	-4.387
H Acceptors	6
H Donors	1
TotalSurfaceArea	238.65
Relative PSA	0.27056
PolarSurfaceArea	73.71
Druglikeness	3.4924
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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