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Chemical ID: 6680800
Chemical ID:
6680800
Name [?]:
5-methyl-1H-indole-3-carbaldehyde
SMILES [?]:
Cc1ccc2c(c1)c(c[nH]2)C=O
InChi [?]:
InChI=1/C10H9NO/c1-7-2-3-10-9(4-7)8(6-12)5-11-10/h2-6,11H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,9,11,2,8,6,5,10,12/rA:12nCCCCCCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s8;d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.794 |
Area: | 320.08 |
Solvation: | -2.20801 |
Coulombic: | -18.3686 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 159.185 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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