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Chemical ID: 6664326
Chemical ID:
6664326
Name [?]:
3-(4-fluorophenyl)-1,1-dipropyl-urea
SMILES [?]:
CCCN(CCC)C(=O)Nc1ccc(cc1)F
InChi [?]:
InChI=1/C13H19FN2O/c1-3-9-16(10-4-2)13(17)15-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,13,15,12,16,3,5,14,11,8,17,10,4,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:17nCCCNCCCCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19FN2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.65551 |
Area: | 441.645 |
Solvation: | -2.38561 |
Coulombic: | -34.9192 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 238.301 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.78 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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