Chemical ID: 4514684

c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=N)N)C(=N)N
Chemical ID:
4514684
Name [?]:
1,3-bis(3-amidinophenyl)urea
SMILES [?]:
c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=N)N)C(=N)N
InChi [?]:
InChI=1/C15H16N6O/c16-13(17)9-3-1-5-11(7-9)20-15(22)21-12-6-2-4-10(8-12)14(18)19/h1-8H,(H3,16,17)(H3,18,19)(H2,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,13,2,14,6,12,4,16,3,15,5,11,20,17,8,21,22,18,19,7,10,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17,18,19)(20,21)/gE:(1,2)/rA:22nCCCCCCNCONCCCCCCCNNCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;w17;s17;s3;w20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N6O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.88294
Area:503.186
Solvation:-3.69671
Coulombic:-89.8359
Bond Count [?]
All:23
Single:14
Double:9
Rotors:6
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:296.327
H-Bond Donors:8
H-Bond Acceptors:7
XLogP:1.7
LogP (Chemaxon):-0.18

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