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Chemical ID: 6733527
Chemical ID:
6733527
Name [?]:
3-benzyl-1-methyl-1-phenyl-urea
SMILES [?]:
CN(c1ccccc1)C(=O)NCc2ccccc2
InChi [?]:
InChI=1/C15H16N2O/c1-17(14-10-6-3-7-11-14)15(18)16-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,16,6,15,17,5,7,14,18,4,8,12,13,3,9,11,2,10/E:(4,5)(6,7)(8,9)(10,11)/rA:18nCNCCCCCCCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O |
All Atoms: | 34 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21729 |
Area: | 443.147 |
Solvation: | -1.86138 |
Coulombic: | -33.1115 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 240.3 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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