Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C20H14N3O4ClS [(E)-(5-chloro-2-naphthalen-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene)amino] hydrogen sulfate | Chemryt

[(E)-(5-chloro-2-naphthalen-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene)amino] hydrogen sulfate

Molecular Formula : C20H14N3O4ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : [(E)-(5-chloro-2-naphthalen-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene)amino] hydrogen sulfate

MolecularFormula : C20H14N3O4ClS

Smiles : OS(O/N=C(\CC1)/c(cc2)c3n1c(-c1cc4ccccc4cc1)nc3c2Cl)(=O)=O

InChI : InChI=1S/C20H14ClN3O4S/c21-16-8-7-15-17(23-28-29(25,26)27)9-10-24-19(15)18(16)22-20(24)14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11H,9-10H2,(H,25,26,27)

InChIK : OFYYXJOWKGMJQH-UHFFFAOYSA-N

TotalMolweight : 427.867

Molweight : 427.867

MonoisotopicMass : 427.039354

CLogP : 5.0365

CLogS : -5.64

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 287.52

Relative PSA : 0.28182

PolarSurfaceArea : 102.16

Druglikeness : 0.7422

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Shape Index : 0.51724

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 3

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 19

Sp3Atoms : 5

Symmetricatoms : 1

Aromatic Nitrogens : 2

BasicNitrogens : 1

AcidicOxygens : 1

Request More Details | [(E)-(5-chloro-2-naphthalen-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene)amino] hydrogen sulfate


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments