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Chemical ID: 4965235
Chemical ID:
4965235
Name [?]:
2-chloro-7-ethyl-1H-indole-3-carbaldehyde
SMILES [?]:
CCc1cccc2c1[nH]c(c2C=O)Cl
InChi [?]:
InChI=1/C11H10ClNO/c1-2-7-4-3-5-8-9(6-14)11(12)13-10(7)8/h3-6,13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,4,6,12,3,7,11,8,10,14,9,13/rA:14nCCCCCCCCNCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7d10;s11;d12;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.88402 |
Area: | 368.143 |
Solvation: | -2.31956 |
Coulombic: | -19.4194 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 207.656 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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