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Chemical ID: 4747681
Chemical ID:
4747681
Name [?]:
9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole
SMILES [?]:
Cn1c2c(c3c1CCCC3)CCCC2
InChi [?]:
InChI=1/C13H19N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,12,8,13,10,11,7,14,5,4,6,3,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:14nCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;s5s9;s4;s11;s12;s3s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77415 |
Area: | 349.66 |
Solvation: | -0.967348 |
Coulombic: | -5.57669 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 189.297 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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