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Chemical ID: 6523491
Chemical ID:
6523491
Name [?]:
1-(4-bromo-2-methyl-phenyl)-3-phenyl-urea
SMILES [?]:
Cc1cc(ccc1NC(=O)Nc2ccccc2)Br
InChi [?]:
InChI=1/C14H13BrN2O/c1-10-9-11(15)7-8-13(10)17-14(18)16-12-5-3-2-4-6-12/h2-9H,1H3,(H2,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,5,6,3,2,4,12,7,9,18,11,8,10/E:(3,4)(5,6)/rA:18nCCCCCCCNCONCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13BrN2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.33364 |
Area: | 443.239 |
Solvation: | -1.74734 |
Coulombic: | -35.8265 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 305.17 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.51 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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