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

C14H10N3O5ClS [(E)-[5-chloro-2-(furan-3-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-(furan-3-yl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ylidene]amino] hydrogen sulfate

Molecular Formula : C14H10N3O5ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C14H10N3O5ClS

Smiles : OS(O/N=C(\CC1)/c(cc2)c3n1c(-c1cocc1)nc3c2Cl)(=O)=O

InChI : InChI=1S/C14H10ClN3O5S/c15-10-2-1-9-11(17-23-24(19,20)21)3-5-18-13(9)12(10)16-14(18)8-4-6-22-7-8/h1-2,4,6-7H,3,5H2,(H,19,20,21)

InChIK : XNXLENZKHBXMDZ-UHFFFAOYSA-N

TotalMolweight : 367.768

Molweight : 367.768

MonoisotopicMass : 367.002969

CLogP : 2.9768

CLogS : -3.692

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 242.61

Relative PSA : 0.39215

PolarSurfaceArea : 115.3

Druglikeness : 3.0168

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Shape Index : 0.5

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 14

Sp3Atoms : 5

Symmetricatoms : 1

Aromatic Nitrogens : 2

BasicNitrogens : 1

AcidicOxygens : 1

Request More Details | [(E)-[5-chloro-2-(furan-3-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