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Chemical ID: 4148535
Chemical ID:
4148535
Name [?]:
1,3-diphenylguanidine
SMILES [?]:
c1ccc(cc1)NC(=N)Nc2ccccc2
InChi [?]:
InChI=1/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,2,6,13,15,3,5,12,16,4,11,8,9,7,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16nCCCCCCNCNNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13N3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.13558 |
Area: | 395.36 |
Solvation: | -1.74841 |
Coulombic: | -36.4988 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 211.263 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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