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Chemical ID: 6344791
Chemical ID:
6344791
Name [?]:
3-chloro-N-(tetrahydrofuran-2-ylmethyl)propanamide
SMILES [?]:
C1CC(OC1)CNC(=O)CCCl
InChi [?]:
InChI=1/C8H14ClNO2/c9-4-3-8(11)10-6-7-2-1-5-12-7/h7H,1-6H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,10,11,5,6,3,8,12,7,9,4/rA:12cCCCOCCNCOCCCl/rB:s1;s2;s3;s1s4;s3;s6;s7;d8;s8;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14ClNO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.42521 |
Area: | 377.159 |
Solvation: | -3.00377 |
Coulombic: | -27.9817 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 191.655 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.66 |
LogP (Chemaxon): | 0.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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