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Chemical ID: 6624692
Chemical ID:
6624692
Name [?]:
[4-[(2-fluorobenzoyl)aminoiminomethyl]phenyl] 2-chlorobenzoate
SMILES [?]:
c1ccc(c(c1)C(=O)NN=Cc2ccc(cc2)OC(=O)c3ccccc3Cl)F
InChi [?]:
InChI=1/C21H14ClFN2O3/c22-18-7-3-1-5-16(18)21(27)28-15-11-9-14(10-12-15)13-24-25-20(26)17-6-2-4-8-19(17)23/h1-13H,(H,25,26)
InChi Info:
AuxInfo=1/1/N:23,1,24,2,22,6,25,3,13,17,14,16,11,12,15,21,5,26,4,7,19,27,28,10,9,8,20,18/E:(9,10)(11,12)/rA:28nCCCCCCCONNCCCCCCCOCOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14ClFN2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42392 |
Area: | 598.664 |
Solvation: | -5.54268 |
Coulombic: | -43.4434 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 396.799 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.28 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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