Chemical ID: 6523491

Cc1cc(ccc1NC(=O)Nc2ccccc2)Br
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

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