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(4-morpholin-4-yl-3-nitrophenyl)-[(7Z)-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone

Formula:C31H28N6O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4-morpholin-4-yl-3-nitrophenyl)-[(7Z)-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone is not a drug-like molecule.
MolName(4-morpholin-4-yl-3-nitrophenyl)-[(7Z)-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
MolecularFormulaC31H28N6O8
Smiles[O-][N+](c1cccc(C(C2CCC3)N(C(c(cc4)cc([N+]([O-])=O)c4N4CCOCC4)=O)N=C2/C3=C\c2cc([N+]([O-])=O)ccc2)c1)=O
InChIInChI=1S/C31H28N6O8/c38-31(23-10-11-27(28(19-23)37(43)44)33-12-14-45-15-13-33)34-30(22-6-2-8-25(18-22)36(41)42)26-9-3-5-21(29(26)32-34)16-20-4-1-7-24(17-20)35(39)40/h1-2,4,6-8,10-11,16-19,26,30H,3,5,9,12-15H2
InChIKZXSCXSAJACHKSR-UHFFFAOYSA-N
TotalMolweight612.597
Molweight612.597
MonoisotopicMass612.196864
CLogP2.7607
CLogS-7.055
H Acceptors14
TotalSurfaceArea440.64
Relative PSA0.30163
PolarSurfaceArea182.6
Druglikeness-3.694
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.42222
Fragments1
Non HAtoms45
NonCHAtoms14
Electronegative Atoms14
StereoCenters2
Rotatable Bond7
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms14
Symmetricatoms2
Amines1
Aromatic Amines1
AcidicOxygens3
StereoConunknown chirality

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