Chemical ID: 4965169

Cc1cc(c2c(c1)c(c([nH]2)Cl)C=O)C
Chemical ID:
4965169
Name [?]:
2-chloro-5,7-dimethyl-1H-indole-3-carbaldehyde
SMILES [?]:
Cc1cc(c2c(c1)c(c([nH]2)Cl)C=O)C
InChi [?]:
InChI=1/C11H10ClNO/c1-6-3-7(2)10-8(4-6)9(5-14)11(12)13-10/h3-5,13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,3,7,12,2,4,6,8,5,9,11,10,13/rA:14nCCCCCCCCCNClCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s8;d12;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10ClNO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.87417
Area:367.736
Solvation:-2.31924
Coulombic:-18.8196
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:207.656
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.08
LogP (Chemaxon):3.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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