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Chemical ID: 5457049
Chemical ID:
5457049
Name [?]:
2-chloro-N-(tetrahydrofuran-2-ylmethyl)propanamide
SMILES [?]:
CC(C(=O)NCC1CCCO1)Cl
InChi [?]:
InChI=1/C8H14ClNO2/c1-6(9)8(11)10-5-7-3-2-4-12-7/h6-7H,2-5H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,6,2,7,3,12,5,4,11/rA:12cCCCONCCCCCOCl/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s7s10;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14ClNO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.15664 |
Area: | 370.69 |
Solvation: | -3.11061 |
Coulombic: | -28.9258 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 191.655 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.59 |
LogP (Chemaxon): | 0.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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