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Chemical ID: 6391340
Chemical ID:
6391340
Name [?]:
4-chloro-N-(tetrahydrofuran-2-ylmethyl)butanamide
SMILES [?]:
C1CC(OC1)CNC(=O)CCCCl
InChi [?]:
InChI=1/C9H16ClNO2/c10-5-1-4-9(12)11-7-8-3-2-6-13-8/h8H,1-7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:11,1,2,10,12,5,6,3,8,13,7,9,4/rA:13cCCCOCCNCOCCCCl/rB:s1;s2;s3;s1s4;s3;s6;s7;d8;s8;s10;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16ClNO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.70882 |
Area: | 404.2 |
Solvation: | -3.39617 |
Coulombic: | -27.9414 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 205.682 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.02 |
LogP (Chemaxon): | 0.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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