Chemical ID: 6680800

Cc1ccc2c(c1)c(c[nH]2)C=O
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

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