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C31H30N3O | Cheminformatics
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(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(4-phenylmethoxyphenyl)methanimine

Molecular Formula : C31H30N3O | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(4-phenylmethoxyphenyl)methanimine is a drug-like molecule.

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

MolecularFormula : C31H30N3O

Smiles : C(c1ccccc1)Oc1ccc(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)cc1

InChI : InChI=1S/C31H29N3O/c1-2-8-25(9-3-1)23-35-26-16-14-24(15-17-26)22-32-34-20-18-33(19-21-34)31-29-12-6-4-10-27(29)28-11-5-7-13-30(28)31/h1-17,22,31H,18-21,23H2/p+1

InChIK : BWRXETOEVLDGAG-UHFFFAOYSA-O

TotalMolweight : 460.599

Molweight : 460.599

MonoisotopicMass : 460.238887

CLogP : 4.1472

CLogS : -6.257

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 376.24

Relative PSA : 0.11336

PolarSurfaceArea : 29.27

Druglikeness : 3.4435

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.6

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 6

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 4

Aromatic Atoms : 24

Sp3Atoms : 9

Symmetricatoms : 12

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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