Chemical ID: 5793911

c1ccc(cc1)c2nc3ccc(cc3o2)N=Cc4cccc(c4O)I
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

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Descriptor Annotations

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