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Chemical ID: 6344685
Chemical ID:
6344685
Name [?]:
4-chloro-N-(p-tolylmethyl)butanamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)CCCCl
InChi [?]:
InChI=1/C12H16ClNO/c1-10-4-6-11(7-5-10)9-14-12(15)3-2-8-13/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,13,12,3,7,4,6,14,8,2,5,10,15,9,11/E:(4,5)(6,7)/rA:15nCCCCCCCCNCOCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7837 |
Area: | 441.398 |
Solvation: | -2.25126 |
Coulombic: | -21.8324 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 225.714 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.81 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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