Chemical ID: 3995990

Cn1c2ccc(cc2c(c1Cl)C=O)C=O
Chemical ID:
3995990
Name [?]:
2-chloro-1-methyl-indole-3,5-dicarbaldehyde
SMILES [?]:
Cn1c2ccc(cc2c(c1Cl)C=O)C=O
InChi [?]:
InChI=1/C11H8ClNO2/c1-13-10-3-2-7(5-14)4-8(10)9(6-15)11(13)12/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,7,14,12,6,8,9,3,10,11,2,15,13/rA:15nCNCCCCCCCCClCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2d9;s10;s9;d12;s6;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8ClNO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.38442
Area:380.842
Solvation:-4.13663
Coulombic:-19.9168
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:221.639
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.42
LogP (Chemaxon):2.18

Name Annotations

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Descriptor Annotations

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