Chemical ID: 5463810

Cc1cccc(c1)NC(=O)Nc2cccc(c2)I
Chemical ID:
5463810
Name [?]:
3-(3-iodophenyl)-1-(m-tolyl)urea
SMILES [?]:
Cc1cccc(c1)NC(=O)Nc2cccc(c2)I
InChi [?]:
InChI=1/C14H13IN2O/c1-10-4-2-6-12(8-10)16-14(18)17-13-7-3-5-11(15)9-13/h2-9H,1H3,(H2,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,4,14,3,15,5,13,7,17,2,16,6,12,9,18,8,11,10/rA:18nCCCCCCCNCONCCCCCCI/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13IN2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.81508
Area:463.129
Solvation:-1.76314
Coulombic:-35.657
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:352.17
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.99
LogP (Chemaxon):4.96

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue