4-N-[(Z)-(3-bromophenyl)methylideneamino]-6-N-cyclohexyl-2-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine

Formula:C22H23N8O2Br Mutagenic:high Tumorigenic:low Reproductive Effective:high 4-N-[(Z)-(3-bromophenyl)methylideneamino]-6-N-cyclohexyl-2-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	4-N-[(Z)-(3-bromophenyl)methylideneamino]-6-N-cyclohexyl-2-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C22H23N8O2Br
Smiles	[O-][N+](c(cc1)ccc1Nc1nc(NC2CCCCC2)nc(N/N=C\c2cccc(Br)c2)n1)=O
InChI	InChI=1S/C22H23BrN8O2/c23-16-6-4-5-15(13-16)14-24-30-22-28-20(25-17-7-2-1-3-8-17)27-21(29-22)26-18-9-11-19(12-10-18)31(32)33/h4-6,9-14,17H,1-3,7-8H2,(H3,25,26,27,28,29,30)
InChIK	OXOAXNSZNGDGOU-UHFFFAOYSA-N
TotalMolweight	511.383
Molweight	511.383
MonoisotopicMass	510.112733
CLogP	6.288
CLogS	-7.841
H Acceptors	10
H Donors	3
TotalSurfaceArea	358.3
Relative PSA	0.30483
PolarSurfaceArea	132.94
Druglikeness	-9.5987
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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1 - 4-N-[(Z)-(3-bromophenyl)methylideneamino]-6-N-cyclohexyl-2-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine | 2 - 4-N-[(Z)-(3-bromophenyl)methylideneamino]-6-N-cyclohexyl-2-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine

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