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Chemical ID: 4298446
Chemical ID:
4298446
Name [?]:
[3-acetoxy-4-[(4-chlorobenzoyl)aminoiminomethyl]phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(c(c1)OC(=O)C)C=NNC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H15ClN2O5/c1-11(22)25-16-8-5-14(17(9-16)26-12(2)23)10-20-21-18(24)13-3-6-15(19)7-4-13/h3-10H,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,14,21,25,7,22,24,6,10,15,2,12,20,8,23,5,9,18,26,16,17,3,13,19,4,11/E:(3,4)(6,7)/rA:26nCCOOCCCCCCOCOCCNNCOCCCCCCCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s8;w15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.169 |
Area: | 594.24 |
Solvation: | -4.68696 |
Coulombic: | -54.3094 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 374.775 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.19 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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