Chemical ID: 4685776

CC(C)(C)c1cc2ccccc2[nH]1
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

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Descriptor Annotations

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