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Chemical ID: 6455783
Chemical ID:
6455783
Name [?]:
2-chloro-N-[4-chloro-3-(5,6-dimethylbenzooxazol-2-yl)-phenyl]-benzamide
SMILES [?]:
Cc1cc2c(cc1C)oc(n2)c3cc(ccc3Cl)NC(=O)c4ccccc4Cl
InChi [?]:
InChI=1/C22H16Cl2N2O2/c1-12-9-19-20(10-13(12)2)28-22(26-19)16-11-14(7-8-18(16)24)25-21(27)15-5-3-4-6-17(15)23/h3-11H,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,8,24,25,23,26,15,16,3,6,13,2,7,14,22,12,27,17,4,5,20,10,28,18,19,11,21,9/rA:28nCCCCCCCCOCNCCCCCCClNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s4d10;s10;s12;d13;s14;d15;d12s16;s17;s14;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16Cl2N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1649 |
Area: | 604.363 |
Solvation: | -2.94415 |
Coulombic: | -37.6213 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 411.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.25 |
LogP (Chemaxon): | 7.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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