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

C17H17NO3 | Cheminformatics

(E)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(furan-2-yl)prop-2-enamide

Molecular Formula : C17H17NO3 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |

MolName : (E)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(furan-2-yl)prop-2-enamide

MolecularFormula : C17H17NO3

Smiles : O=C(/C=C/c1ccco1)NCC1OCCc2c1cccc2

InChI : InChI=1S/C17H17NO3/c19-17(8-7-14-5-3-10-20-14)18-12-16-15-6-2-1-4-13(15)9-11-21-16/h1-8,10,16H,9,11-12H2,(H,18,19)/t16-/m0/s1

InChIK : COMWIFTWQXILEG-INIZCTEOSA-N

TotalMolweight : 283.326

Molweight : 283.326

MonoisotopicMass : 283.120844

CLogP : 2.1486

CLogS : -3.037

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 228.7

Relative PSA : 0.21255

PolarSurfaceArea : 51.47

Druglikeness : 0.72175

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.61905

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 4

Electronegative Atoms : 4

StereoCenters : 1

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 5

Amides : 1

StereoCon : racemate

Request More Details | (E)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(furan-2-yl)prop-2-enamide


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