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Chemical ID: 5247069
Chemical ID:
5247069
Name [?]:
1,3-bis(1-naphthyl)guanidine
SMILES [?]:
c1ccc2c(c1)cccc2NC(=N)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C21H17N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H3,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,2,22,8,17,6,24,7,18,3,21,9,16,5,19,4,20,10,15,12,13,11,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24nCCCCCCCCCCNCNNCCCCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17N3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4238 |
Area: | 499.322 |
Solvation: | -2.05929 |
Coulombic: | -38.4468 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 311.38 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 5.94 |
LogP (Chemaxon): | 5.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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