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C24H23N4O2 | Cheminformatics

(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(2-nitrophenyl)methanimine

Molecular Formula : C24H23N4O2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |

MolName : (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(2-nitrophenyl)methanimine

MolecularFormula : C24H23N4O2

Smiles : [O-][N+](c1c(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)cccc1)=O

InChI : InChI=1S/C24H22N4O2/c29-28(30)23-12-6-1-7-18(23)17-25-27-15-13-26(14-16-27)24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h1-12,17,24H,13-16H2/p+1

InChIK : YDZTVMFLSZTBCN-UHFFFAOYSA-O

TotalMolweight : 399.473

Molweight : 399.473

MonoisotopicMass : 399.182101

CLogP : 3.1923

CLogS : -5.376

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 316.39

Relative PSA : 0.19934

PolarSurfaceArea : 65.86

Druglikeness : -0.91559

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.5

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 8

Symmetricatoms : 8

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon :

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