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Chemical ID: 5768933
Chemical ID:
5768933
Name [?]:
3-(2-fluorophenyl)-1-sec-butyl-urea
SMILES [?]:
CCC(C)NC(=O)Nc1ccccc1F
InChi [?]:
InChI=1/C11H15FN2O/c1-3-8(2)13-11(15)14-10-7-5-4-6-9(10)12/h4-8H,3H2,1-2H3,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,2,12,11,13,10,3,14,9,6,15,5,8,7/rA:15cCCCCNCONCCCCCCF/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15FN2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.79257 |
Area: | 388.879 |
Solvation: | -1.9294 |
Coulombic: | -40.1051 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 210.248 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.32 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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