Chemical ID: 4701622

Cn1c2ccccc2c(c1Cl)C#N
Chemical ID:
4701622
Name [?]:
2-chloro-1-methyl-indole-3-carbonitrile
SMILES [?]:
Cn1c2ccccc2c(c1Cl)C#N
InChi [?]:
InChI=1/C10H7ClN2/c1-13-9-5-3-2-4-7(9)8(6-12)10(13)11/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,12,8,9,3,10,11,13,2/rA:13nCNCCCCCCCCClCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2d9;s10;s9;t12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7ClN2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.68911
Area:351.284
Solvation:-1.09299
Coulombic:-11.5897
Bond Count [?]
All:14
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:190.629
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.75
LogP (Chemaxon):2.64

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Descriptor Annotations

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