Chemical ID: 4298446

CC(=O)Oc1ccc(c(c1)OC(=O)C)C=NNC(=O)c2ccc(cc2)Cl
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

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