8-bromo-3-[(Z)-(2-chlorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Formula:C17H10N4O2BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 8-bromo-3-[(Z)-(2-chlorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is a drug-like molecule.

MolName	8-bromo-3-[(Z)-(2-chlorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
MolecularFormula	C17H10N4O2BrCl
Smiles	O=C(c([nH]c(cc1)c2cc1Br)c2NC1=O)N1/N=C\c(cccc1)c1Cl
InChI	InChI=1S/C17H10BrClN4O2/c18-10-5-6-13-11(7-10)14-15(21-13)16(24)23(17(25)22-14)20-8-9-3-1-2-4-12(9)19/h1-8,21H,(H,22,25)
InChIK	GODANTZFNFHJPW-UHFFFAOYSA-N
TotalMolweight	417.649
Molweight	417.649
MonoisotopicMass	415.967564
CLogP	3.8476
CLogS	-6.217
H Acceptors	6
H Donors	2
TotalSurfaceArea	259.76
Relative PSA	0.25635
PolarSurfaceArea	77.56
Druglikeness	3.527
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Amides	1
Aromatic Nitrogens	1
StereoCon

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