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2-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

Formula:C24H20N8O4ClF Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
MolName2-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormulaC24H20N8O4ClF
Smiles[O-][N+](c(cc(cc1)-c2ccc(/C=N\Nc3nc(N4CCOCC4)nc(Nc(cc4)ccc4F)n3)o2)c1Cl)=O
InChIInChI=1S/C24H20ClFN8O4/c25-19-7-1-15(13-20(19)34(35)36)21-8-6-18(38-21)14-27-32-23-29-22(28-17-4-2-16(26)3-5-17)30-24(31-23)33-9-11-37-12-10-33/h1-8,13-14H,9-12H2,(H2,28,29,30,31,32)
InChIKKIGNSENUUAZZNJ-UHFFFAOYSA-N
TotalMolweight538.926
Molweight538.926
MonoisotopicMass538.128007
CLogP5.6748
CLogS-7.986
H Acceptors12
H Donors2
TotalSurfaceArea393.47
Relative PSA0.31875
PolarSurfaceArea146.52
Druglikeness-1.0967
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functionsaromatic nitro; imine/hydrazone of aldehyde
Shape Index0.52632
Fragments1
Non HAtoms38
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms6
Symmetricatoms4
Aromatic Nitrogens3
BasicNitrogens3
AcidicOxygens1
StereoCon

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