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Chemical ID: 6665806
Chemical ID:
6665806
Name [?]:
3-(2,5-dimethylphenyl)-1,1-dimethyl-urea
SMILES [?]:
Cc1ccc(c(c1)NC(=O)N(C)C)C
InChi [?]:
InChI=1/C11H16N2O/c1-8-5-6-9(2)10(7-8)12-11(14)13(3)4/h5-7H,1-4H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,14,12,13,3,4,7,2,5,6,9,8,11,10/E:(3,4)/rA:14nCCCCCCCNCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s11;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.63478 |
Area: | 372.519 |
Solvation: | -1.67821 |
Coulombic: | -30.5005 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 192.258 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.72 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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