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Chemical ID: 4387144
Chemical ID:
4387144
Name [?]:
N-(3-benzooxazol-2-yl-4-chloro-phenyl)-4-cyano-2-fluoro-benzamide
SMILES [?]:
c1ccc2c(c1)nc(o2)c3cc(ccc3Cl)NC(=O)c4ccc(cc4F)C#N
InChi [?]:
InChI=1/C21H11ClFN3O2/c22-16-8-6-13(25-20(27)14-7-5-12(11-24)9-17(14)23)10-15(16)21-26-18-3-1-2-4-19(18)28-21/h1-10H,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,22,13,21,14,24,11,27,23,12,20,10,15,25,5,4,18,8,16,26,28,17,7,19,9/rA:28nCCCCCCNCOCCCCCCClNCOCCCCCCFCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s12;d13;d10s14;s15;s12;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s23;t27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H11ClFN3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87833 |
Area: | 591.349 |
Solvation: | -4.90538 |
Coulombic: | -42.1607 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 391.782 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.64 |
LogP (Chemaxon): | 5.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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