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Chemical ID: 5608041
Chemical ID:
5608041
Name [?]:
2-[4-(5-aminobenzooxazol-2-yl)phenyl]benzooxazol-5-amine
SMILES [?]:
c1cc(ccc1c2nc3cc(ccc3o2)N)c4nc5cc(ccc5o4)N
InChi [?]:
InChI=1/C20H14N4O2/c21-13-5-7-17-15(9-13)23-19(25-17)11-1-2-12(4-3-11)20-24-16-10-14(22)6-8-18(16)26-20/h1-10H,21-22H2
InChi Info:
AuxInfo=1/0/N:1,2,5,4,12,22,13,23,10,20,6,3,11,21,9,19,14,24,7,17,16,26,8,18,15,25/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/rA:26nCCCCCCCNCCCCCCONCNCCCCCCON/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s11;s3;d17;s18;s19;d20;s21;d22;d19s23;s17s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14N4O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3198 |
Area: | 554.029 |
Solvation: | -2.53091 |
Coulombic: | -63.034 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 342.351 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 2 |
XLogP: | 2.66 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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