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Chemical ID: 6380515
Chemical ID:
6380515
Name [?]:
1,1-dibutyl-3-phenyl-urea
SMILES [?]:
CCCCN(CCCC)C(=O)Nc1ccccc1
InChi [?]:
InChI=1/C15H24N2O/c1-3-5-12-17(13-6-4-2)15(18)16-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,9,2,8,3,7,16,15,17,14,18,4,6,13,10,12,5,11/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)/rA:18nCCCCNCCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5679 |
Area: | 487.699 |
Solvation: | -1.62454 |
Coulombic: | -32.6862 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 248.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.76 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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