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Chemical ID: 5208073
Chemical ID:
5208073
Name [?]:
N-methyl-N-[(2-oxoindolin-3-yl)methyl]acetamide
SMILES [?]:
CC(=O)N(C)CC1c2ccccc2NC1=O
InChi [?]:
InChI=1/C12H14N2O2/c1-8(15)14(2)7-10-9-5-3-4-6-11(9)13-12(10)16/h3-6,10H,7H2,1-2H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,5,10,11,9,12,6,2,8,7,13,15,14,4,3,16/rA:16cCCONCCCCCCCCCNCO/rB:s1;d2;s2;s4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s7s14;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.44894 |
Area: | 374.33 |
Solvation: | -2.9093 |
Coulombic: | -35.4223 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.252 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.22 |
LogP (Chemaxon): | 0.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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