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Chemical ID: 5228601
Chemical ID:
5228601
Name [?]:
2-methoxy-6,7,8,9-tetrahydro-5H-carbazole
SMILES [?]:
COc1ccc2c(c1)[nH]c3c2CCCC3
InChi [?]:
InChI=1/C13H15NO/c1-15-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h6-8,14H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,4,5,8,3,11,6,10,7,9,2/rA:15nCOCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6d10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.95439 |
Area: | 366.291 |
Solvation: | -2.20289 |
Coulombic: | -18.4646 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 201.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.85 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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