Chemical ID: 6426750

CC(C)(C)C1CCc2c(c3ccccc3[nH]2)C1
Chemical ID:
6426750
Name [?]:
3-tert-butyl-2,3,4,9-tetrahydro-1H-carbazole
SMILES [?]:
CC(C)(C)C1CCc2c(c3ccccc3[nH]2)C1
InChi [?]:
InChI=1/C16H21N/c1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15/h4-7,11,17H,8-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,13,11,14,6,7,17,5,10,9,15,8,2,16/E:(1,2,3)/rA:17cCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s5s9;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21N
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:9.18363
Area:404.126
Solvation:-0.919521
Coulombic:-13.2951
Bond Count [?]
All:19
Single:15
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:227.345
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.12
LogP (Chemaxon):4.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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