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Chemical ID: 4788658
Chemical ID:
4788658
Name [?]:
N-(5,7-dimethyl-2-oxo-1-propyl-indolin-3-yl)acetamide
SMILES [?]:
CCCN1c2c(cc(cc2C(C1=O)NC(=O)C)C)C
InChi [?]:
InChI=1/C15H20N2O2/c1-5-6-17-14-10(3)7-9(2)8-12(14)13(15(17)19)16-11(4)18/h7-8,13H,5-6H2,1-4H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,2,3,7,9,8,6,15,10,11,5,12,14,4,16,13/rA:19cCCCNCCCCCCCCONCOCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s11;s14;d15;s15;s8;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.32292 |
Area: | 455.239 |
Solvation: | -3.05805 |
Coulombic: | -36.7282 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 260.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.02 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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