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Chemical ID: 6497821
Chemical ID:
6497821
Name [?]:
3-chloro-N-(6-quinolyl)propanamide
SMILES [?]:
c1cc2cc(ccc2nc1)NC(=O)CCCl
InChi [?]:
InChI=1/C12H11ClN2O/c13-6-5-12(16)15-10-3-4-11-9(8-10)2-1-7-14-11/h1-4,7-8H,5-6H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,14,15,10,4,3,5,8,12,16,9,11,13/rA:16nCCCCCCCCNCNCOCCCl/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s5;s11;d12;s12;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11ClN2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86072 |
Area: | 416.522 |
Solvation: | -2.55234 |
Coulombic: | -24.9004 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 234.681 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.97 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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