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Chemical ID: 7100232
Chemical ID:
7100232
Name [?]:
ethyl 5-isopropyl-1H-indole-2-carboxylate
SMILES [?]:
CCOC(=O)c1cc2cc(ccc2[nH]1)C(C)C
InChi [?]:
InChI=1/C14H17NO2/c1-4-17-14(16)13-8-11-7-10(9(2)3)5-6-12(11)15-13/h5-9,15H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,17,2,11,12,9,7,15,10,8,13,6,4,14,5,3/E:(2,3)/rA:17nCCOCOCCCCCCCCNCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;d8s12;s6s13;s10;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO2 |
All Atoms: | 34 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32611 |
Area: | 435.881 |
Solvation: | -1.5709 |
Coulombic: | -33.4249 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 231.29 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.95 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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