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Chemical ID: 6936069
Chemical ID:
6936069
Name [?]:
N-(1-ethylpropyl)-4-fluoro-benzamide
SMILES [?]:
CCC(CC)NC(=O)c1ccc(cc1)F
InChi [?]:
InChI=1/C12H16FNO/c1-3-11(4-2)14-12(15)9-5-7-10(13)8-6-9/h5-8,11H,3-4H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,14,11,13,9,12,3,7,15,6,8/E:(1,2)(3,4)(5,6)(7,8)/rA:15nCCCCCNCOCCCCCCF/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16FNO |
All Atoms: | 31 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.43992 |
Area: | 387.089 |
Solvation: | -2.2373 |
Coulombic: | -26.9435 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 209.26 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.19 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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