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Chemical ID: 4939167
Chemical ID:
4939167
Name [?]:
2-(1-methyl-2-oxo-3-tert-butyl-indolin-3-yl)acetaldehyde
SMILES [?]:
CC(C)(C)C1(c2ccccc2N(C1=O)C)CC=O
InChi [?]:
InChI=1/C15H19NO2/c1-14(2,3)15(9-10-17)11-7-5-6-8-12(11)16(4)13(15)18/h5-8,10H,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,8,9,7,10,16,17,6,11,13,2,5,12,18,14/E:(1,2,3)/rA:18cCCCCCCCCCCCNCOCCCO/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;d6s10;s11;s5s12;d13;s12;s5;s16;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.42529 |
Area: | 405.894 |
Solvation: | -2.72206 |
Coulombic: | -23.8127 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 245.317 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.06 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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