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Chemical ID: 4099084
Chemical ID:
4099084
Name [?]:
1-(4-isopropylphenyl)-3-tert-butyl-urea
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C14H22N2O/c1-10(2)11-6-8-12(9-7-11)15-13(17)16-14(3,4)5/h6-10H,1-5H3,(H2,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,17,5,9,6,8,2,4,7,11,14,10,13,12/E:(1,2)(3,4,5)(6,7)(8,9)/rA:17nCCCCCCCCCNCONCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.532 |
Area: | 439.644 |
Solvation: | -1.45911 |
Coulombic: | -36.1264 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.337 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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