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C21H20N6O | Cheminformatics

[4-[[(Z)-(4-cyanophenyl)methylidene-[4,5-dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]azaniumyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methylideneazanide

Molecular Formula : C21H20N6O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : [4-[[(Z)-(4-cyanophenyl)methylidene-[4,5-dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]azaniumyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methylideneazanide

MolecularFormula : C21H20N6O

Smiles : [N-]=C=C(C=C1)C=CC1=C/[N+](/N(CCO)C1=NCCN1)=C/c(cc1)ccc1C#N

InChI : InChI=1S/C21H20N6O/c22-13-17-1-5-19(6-2-17)15-26(16-20-7-3-18(14-23)4-8-20)27(11-12-28)21-24-9-10-25-21/h1-8,15-16,28H,9-12H2,(H,24,25)

InChIK : BDPYQAJKFGUXRH-UHFFFAOYSA-N

TotalMolweight : 372.431

Molweight : 372.431

MonoisotopicMass : 372.169859

CLogP : -0.339

CLogS : -0.826

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 283.83

Relative PSA : 0.16904

PolarSurfaceArea : 74.66

Druglikeness : -8.4491

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.53571

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 5

Symmetricatoms : 4

BasicNitrogens : 2

StereoCon :

Request More Details | [4-[[(Z)-(4-cyanophenyl)methylidene-[4,5-dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]azaniumyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methylideneazanide


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