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Chemical ID: 6305357
Chemical ID:
6305357
Name [?]:
3-(3-fluoro-4-methyl-phenyl)-1-(p-tolyl)urea
SMILES [?]:
Cc1ccc(cc1)NC(=O)Nc2ccc(c(c2)F)C
InChi [?]:
InChI=1/C15H15FN2O/c1-10-3-6-12(7-4-10)17-15(19)18-13-8-5-11(2)14(16)9-13/h3-9H,1-2H3,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,3,7,14,4,6,13,17,2,15,5,12,16,9,18,8,11,10/E:(3,4)(6,7)/rA:19nCCCCCCCNCONCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15FN2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.57886 |
Area: | 443.988 |
Solvation: | -2.52083 |
Coulombic: | -38.8782 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 258.291 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.31 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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