Chemical ID: 5247069

c1ccc2c(c1)cccc2NC(=N)Nc3cccc4c3cccc4
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

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