Chemical ID: 4747681

Cn1c2c(c3c1CCCC3)CCCC2
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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