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Chemical ID: 4950429
Chemical ID:
4950429
Name [?]:
1,3-bis(o-tolyl)guanidine
SMILES [?]:
Cc1ccccc1NC(=N)Nc2ccccc2C
InChi [?]:
InChI=1/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,4,15,5,14,3,16,6,13,2,17,7,12,9,10,8,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18nCCCCCCCNCNNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17N3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21246 |
Area: | 431.52 |
Solvation: | -1.57552 |
Coulombic: | -36.4586 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 239.316 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 3.86 |
LogP (Chemaxon): | 4.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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