5-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-6-phenylpyrimidine-2,4-diamine

Formula:C19H16N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 5-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-6-phenylpyrimidine-2,4-diamine is a drug-like molecule.

MolName	5-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-6-phenylpyrimidine-2,4-diamine
MolecularFormula	C19H16N6O2
Smiles	Nc(nc(N)nc1-c2ccccc2)c1/N=C/C=C/c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C19H16N6O2/c20-18-17(16(23-19(21)24-18)14-6-2-1-3-7-14)22-12-4-5-13-8-10-15(11-9-13)25(26)27/h1-12H,(H4,20,21,23,24)
InChIK	VSLWSTSTUSVHGC-UHFFFAOYSA-N
TotalMolweight	360.376
Molweight	360.376
MonoisotopicMass	360.133474
CLogP	1.3426
CLogS	-5.632
H Acceptors	8
H Donors	2
TotalSurfaceArea	282.27
Relative PSA	0.33447
PolarSurfaceArea	136
Druglikeness	-5.4147
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	2
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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