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Chemical ID: 6664563
Chemical ID:
6664563
Name [?]:
1,1-diethyl-3-(m-tolyl)urea
SMILES [?]:
CCN(CC)C(=O)Nc1cccc(c1)C
InChi [?]:
InChI=1/C12H18N2O/c1-4-14(5-2)12(15)13-11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,5,15,2,4,11,12,10,14,13,9,6,8,3,7/E:(1,2)(4,5)/rA:15nCCNCCCONCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.40529 |
Area: | 402.237 |
Solvation: | -1.65063 |
Coulombic: | -30.9953 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 206.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.34 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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