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Chemical ID: 4790430
Chemical ID:
4790430
Name [?]:
N-(5-methoxy-1-methyl-2-oxo-indolin-3-yl)acetamide
SMILES [?]:
CC(=O)NC1c2cc(ccc2N(C1=O)C)OC
InChi [?]:
InChI=1/C12H14N2O3/c1-7(15)13-11-9-6-8(17-3)4-5-10(9)14(2)12(11)16/h4-6,11H,1-3H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,15,17,9,10,7,2,8,6,11,5,13,4,12,3,14,16/rA:17cCCONCCCCCCCNCOCOC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;d13;s12;s8;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.77494 |
Area: | 412.34 |
Solvation: | -4.53355 |
Coulombic: | -42.2451 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 234.251 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.49 |
LogP (Chemaxon): | -0.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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