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Chemical ID: 4685776
Chemical ID:
4685776
Name [?]:
2-tert-butyl-1H-indole
SMILES [?]:
CC(C)(C)c1cc2ccccc2[nH]1
InChi [?]:
InChI=1/C12H15N/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h4-8,13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,9,10,8,11,6,7,12,5,2,13/E:(1,2,3)/rA:13nCCCCCCCCCCCCN/rB:s1;s2;s2;s2;d5;s6;s7;d8;s9;d10;d7s11;s5s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15N |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.73024 |
Area: | 344.755 |
Solvation: | -0.888639 |
Coulombic: | -12.9245 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 173.254 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.16 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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