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(+)-thalidomide

(+)-thalidomide

CAS: 841-67-8

Formula: C13H10N2O4

SMILES: O=C1N([C@H]2CCC(=O)NC2=O)C(=O)C2=C1C=CC=C2

IUPAC: 2-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

InChI: InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1

Composition: C (60.47%), H (3.90%), N (10.85%), O (24.78%)

Molar Mass: 258.233

Atom Count: 29

Heavy Atom Count: 19

Properties
Properties
Common Names (+)-thalidomide; (-)-thalidomide; (S)-(-)-thalidomide; (S)-thalidomide; L-thalidomide; S-(-)-thalidomide; l-thalidomide; sedin
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 258.06405681
Formal Charge 0
FSP3 0.23
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey UEJJHQNACJXSKW-VIFPVBQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.32
Topological Polar Surface Area 83.55
Polarizability 24.01
Ring Count 3
Rotatable Bond Count 1

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