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Chemical ID: 6676633
Chemical ID:
6676633
Name [?]:
3-(2,3-dimethylphenyl)-1-(o-tolyl)urea
SMILES [?]:
Cc1ccccc1NC(=O)Nc2cccc(c2C)C
InChi [?]:
InChI=1/C16H18N2O/c1-11-8-6-10-15(13(11)3)18-16(19)17-14-9-5-4-7-12(14)2/h4-10H,1-3H3,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:19,1,18,4,5,14,3,15,6,13,16,2,17,7,12,9,8,11,10/rA:19nCCCCCCCNCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4445 |
Area: | 450.293 |
Solvation: | -1.81282 |
Coulombic: | -35.7726 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.327 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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