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C23H20N4O5 2,4-dinitro-N-[(E)-[phenyl-(3-phenyloxolan-2-yl)methylidene]amino]aniline | Chemryt

2,4-dinitro-N-[(E)-[phenyl-(3-phenyloxolan-2-yl)methylidene]amino]aniline

Molecular Formula : C23H20N4O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : 2,4-dinitro-N-[(E)-[phenyl-(3-phenyloxolan-2-yl)methylidene]amino]aniline

MolecularFormula : C23H20N4O5

Smiles : [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/C1OCCC1c1ccccc1)\c1ccccc1)=O

InChI : InChI=1S/C23H20N4O5/c28-26(29)18-11-12-20(21(15-18)27(30)31)24-25-22(17-9-5-2-6-10-17)23-19(13-14-32-23)16-7-3-1-4-8-16/h1-12,15,19,23-24H,13-14H2

InChIK : TXFPDUJCJGTQSA-UHFFFAOYSA-N

TotalMolweight : 432.435

Molweight : 432.435

MonoisotopicMass : 432.143371

CLogP : 4.5735

CLogS : -6.047

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 323.57

Relative PSA : 0.28992

PolarSurfaceArea : 125.26

Druglikeness : -3.8755

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.46875

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 9

Electronegative Atoms : 9

StereoCenters : 2

Rotatable Bond : 7

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 7

Symmetricatoms : 4

AcidicOxygens : 2

StereoCon : unknown chirality

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