Chemical ID: 7100232

CCOC(=O)c1cc2cc(ccc2[nH]1)C(C)C
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

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Descriptor Annotations

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