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Chemical ID: 3639254
Chemical ID:
3639254
Name [?]:
2-chloro-N-(5-quinolyl)acetamide
SMILES [?]:
c1cc2c(cccn2)c(c1)NC(=O)CCl
InChi [?]:
InChI=1/C11H9ClN2O/c12-7-11(15)14-10-5-1-4-9-8(10)3-2-6-13-9/h1-6H,7H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,6,5,2,10,7,14,4,3,9,12,15,8,11,13/rA:15nCCCCCCCNCCNCOCCl/rB:s1;d2;s3;s4;d5;s6;s3d7;d4;d1s9;s9;s11;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9ClN2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.56049 |
Area: | 384.855 |
Solvation: | -3.06087 |
Coulombic: | -24.9756 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.655 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.62 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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