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Chemical ID: 6351364
Chemical ID:
6351364
Name [?]:
3-chloro-N-[(4-fluorophenyl)methyl]propanamide
SMILES [?]:
c1cc(ccc1CNC(=O)CCCl)F
InChi [?]:
InChI=1/C10H11ClFNO/c11-6-5-10(14)13-7-8-1-3-9(12)4-2-8/h1-4H,5-7H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,12,7,6,3,9,13,14,8,10/E:(1,2)(3,4)/rA:14nCCCCCCCNCOCCClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11ClFNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.19091 |
Area: | 398.404 |
Solvation: | -2.76918 |
Coulombic: | -25.0702 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 215.652 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.18 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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