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C22H19N5O2 | Cheminformatics
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2-nitro-N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline

Molecular Formula : C22H19N5O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-nitro-N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline is not a drug-like molecule.

MolName : 2-nitro-N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline

MolecularFormula : C22H19N5O2

Smiles : [O-][N+](c(cccc1)c1N/N=C\c(cc1)ccc1N(CC1)N=C1c1ccccc1)=O

InChI : InChI=1S/C22H19N5O2/c28-27(29)22-9-5-4-8-21(22)24-23-16-17-10-12-19(13-11-17)26-15-14-20(25-26)18-6-2-1-3-7-18/h1-13,16,24H,14-15H2

InChIK : WJSYCRIHVQLLNP-UHFFFAOYSA-N

TotalMolweight : 385.426

Molweight : 385.426

MonoisotopicMass : 385.153875

CLogP : 5.8655

CLogS : -5.448

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 299.96

Relative PSA : 0.2282

PolarSurfaceArea : 85.81

Druglikeness : -0.60917

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.62069

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 3

Symmetricatoms : 4

AcidicOxygens : 1

StereoCon :

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1 - 2-nitro-N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline
2 - 2-nitro-N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline
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