9-amino-3-(9-amino-7-oxobenzo[a]phenalen-3-yl)benzo[b]phenalen-7-one

Formula:C34H20N2O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 9-amino-3-(9-amino-7-oxobenzo[a]phenalen-3-yl)benzo[b]phenalen-7-one is not a drug-like molecule.

MolName	9-amino-3-(9-amino-7-oxobenzo[a]phenalen-3-yl)benzo[b]phenalen-7-one
MolecularFormula	C34H20N2O2
Smiles	Nc(cc1)cc(C2=O)c1-c1ccc(-c(cc3)c(cccc45)c5c3-c(ccc(N)c3)c3C4=O)c3cccc2c13
InChI	InChI=1S/C34H20N2O2/c35-17-7-9-21-25-13-11-19(23-3-1-5-27(31(23)25)33(37)29(21)15-17)20-12-14-26-22-10-8-18(36)16-30(22)34(38)28-6-2-4-24(20)32(26)28/h1-16H,35-36H2
InChIK	LWDAHFWGDVZCEZ-UHFFFAOYSA-N
TotalMolweight	488.545
Molweight	488.545
MonoisotopicMass	488.152478
CLogP	7.3856
CLogS	-13.266
H Acceptors	4
H Donors	2
TotalSurfaceArea	347.28
Relative PSA	0.16304
PolarSurfaceArea	86.18
Druglikeness	-0.88417
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.47368
Fragments	1
Non HAtoms	38
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	1
Rings Closures	8
Small Rings	8
Aromatic Rings	6
Aromatic Atoms	32
Symmetricatoms	19
Amines	2
Aromatic Amines	2
StereoCon

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