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Chemical ID: 6529130
Chemical ID:
6529130
Name [?]:
3-(3-acetylphenyl)-1,1-dimethyl-urea
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)N(C)C
InChi [?]:
InChI=1/C11H14N2O2/c1-8(14)9-5-4-6-10(7-9)12-11(15)13(2)3/h4-7H,1-3H3,(H,12,15)
InChi Info:
AuxInfo=1/1/N:1,14,15,6,5,7,9,2,4,8,11,10,13,3,12/E:(2,3)/rA:15nCCOCCCCCCNCONCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.05167 |
Area: | 390.727 |
Solvation: | -2.71652 |
Coulombic: | -37.2753 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 206.241 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.9 |
LogP (Chemaxon): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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