6-[(E)-2-(4-bromophenyl)ethenyl]-5-nitro-2-N,4-N-diphenylpyrimidine-2,4-diamine

Formula:C24H18N5O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(4-bromophenyl)ethenyl]-5-nitro-2-N,4-N-diphenylpyrimidine-2,4-diamine is not a drug-like molecule.

MolName	6-[(E)-2-(4-bromophenyl)ethenyl]-5-nitro-2-N,4-N-diphenylpyrimidine-2,4-diamine
MolecularFormula	C24H18N5O2Br
Smiles	[O-][N+](c1c(Nc2ccccc2)nc(Nc2ccccc2)nc1/C=C/c(cc1)ccc1Br)=O
InChI	InChI=1S/C24H18BrN5O2/c25-18-14-11-17(12-15-18)13-16-21-22(30(31)32)23(26-19-7-3-1-4-8-19)29-24(28-21)27-20-9-5-2-6-10-20/h1-16H,(H2,26,27,28,29)
InChIK	MLTORSHZRPMGQF-UHFFFAOYSA-N
TotalMolweight	488.344
Molweight	488.344
MonoisotopicMass	487.064386
CLogP	5.9427
CLogS	-8.018
H Acceptors	7
H Donors	2
TotalSurfaceArea	341.78
Relative PSA	0.22026
PolarSurfaceArea	95.66
Druglikeness	-7.7019
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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