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

Formula:C21H20N6O Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[[(Z)-(4-cyanophenyl)methylidene-[4,5-dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]azaniumyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methylideneazanide is a drug-like molecule.
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
MolecularFormulaC21H20N6O
Smiles[N-]=C=C(C=C1)C=CC1=C/[N+](/N(CCO)C1=NCCN1)=C/c(cc1)ccc1C#N
InChIInChI=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)
InChIKBDPYQAJKFGUXRH-UHFFFAOYSA-N
TotalMolweight372.431
Molweight372.431
MonoisotopicMass372.169859
CLogP-0.339
CLogS-0.826
H Acceptors7
H Donors2
TotalSurfaceArea283.83
Relative PSA0.16904
PolarSurfaceArea74.66
Druglikeness-8.4491
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.53571
Fragments1
Non HAtoms28
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms5
Symmetricatoms4
BasicNitrogens2
StereoCon

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