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Chemical ID: 5180059
Chemical ID:
5180059
Name [?]:
9-methyl-3-tert-butyl-1,2,3,4-tetrahydrocarbazole
SMILES [?]:
CC(C)(C)C1CCc2c(c3ccccc3n2C)C1
InChi [?]:
InChI=1/C17H23N/c1-17(2,3)12-9-10-16-14(11-12)13-7-5-6-8-15(13)18(16)4/h5-8,12H,9-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,12,13,11,14,6,7,18,5,10,9,15,8,2,16/E:(1,2,3)/rA:18cCCCCCCCCCCCCCCCNCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s16;s5s9;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23N |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.47937 |
Area: | 423.416 |
Solvation: | -1.10602 |
Coulombic: | -8.05099 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 241.371 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.43 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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