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Chemical ID: 3995990
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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Experimental Annotations
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Descriptor Annotations
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