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Chemical ID: 6650324
Chemical ID:
6650324
Name [?]:
[4-[(2-ethoxybenzoyl)aminoiminomethyl]phenyl] 3-chlorobenzoate
SMILES [?]:
CCOc1ccccc1C(=O)NN=Cc2ccc(cc2)OC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C23H19ClN2O4/c1-2-29-21-9-4-3-8-20(21)22(27)26-25-15-16-10-12-19(13-11-16)30-23(28)17-6-5-7-18(24)14-17/h3-15H,2H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,26,25,27,8,5,16,20,17,19,29,14,15,24,28,18,9,4,10,22,30,13,12,11,23,3,21/E:(10,11)(12,13)/rA:30nCCOCCCCCCCONNCCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19ClN2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7369 |
Area: | 663.302 |
Solvation: | -5.84569 |
Coulombic: | -47.2702 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 422.861 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.46 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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