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Chemical ID: 5793911
Chemical ID:
5793911
Name [?]:
2-iodo-6-[(2-phenylbenzooxazol-6-yl)iminomethyl]phenol
SMILES [?]:
c1ccc(cc1)c2nc3ccc(cc3o2)N=Cc4cccc(c4O)I
InChi [?]:
InChI=1/C20H13IN2O2/c21-16-8-4-7-14(19(16)24)12-22-15-9-10-17-18(11-15)25-20(23-17)13-5-2-1-3-6-13/h1-12,24H
InChi Info:
AuxInfo=1/0/N:1,2,6,20,3,5,19,21,11,10,13,17,4,18,12,22,9,14,23,7,25,16,8,24,15/E:(2,3)(5,6)/rA:25nCCCCCCCNCCCCCCONCCCCCCCOI/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s12;w16;s17;s18;d19;s20;d21;d18s22;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13IN2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.932 |
Area: | 544.74 |
Solvation: | -2.68655 |
Coulombic: | -38.4803 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 440.234 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.18 |
LogP (Chemaxon): | 6.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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