Chemical ID: 4591876

Cc1c2ccccc2[nH]c1C(=O)CCl
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

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Descriptor Annotations

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