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Chemical ID: 4591876
Chemical ID:
4591876
Name [?]:
2-chloro-1-(3-methyl-1H-indol-2-yl)-ethanone
SMILES [?]:
Cc1c2ccccc2[nH]c1C(=O)CCl
InChi [?]:
InChI=1/C11H10ClNO/c1-7-8-4-2-3-5-9(8)13-11(7)10(14)6-12/h2-5,13H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,7,13,2,3,8,11,10,14,9,12/rA:14nCCCCCCCCNCCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.99248 |
Area: | 370.008 |
Solvation: | -2.25773 |
Coulombic: | -20.1854 |
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: | 2.41 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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