Chemical ID: 6650213

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2cccc(c2)Cl)Oc3ccc(cc3)Cl
Chemical ID:
6650213
Name [?]:
[4-[2-(4-chlorophenoxy)propanoylaminoiminomethyl]phenyl] 3-chlorobenzoate
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2cccc(c2)Cl)Oc3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H18Cl2N2O4/c1-15(30-20-11-7-18(24)8-12-20)22(28)27-26-14-16-5-9-21(10-6-16)31-23(29)17-3-2-4-19(25)13-17/h2-15H,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,9,13,27,29,10,12,26,30,22,7,2,8,17,28,21,25,11,3,15,31,23,6,5,4,16,24,14/E:(5,6)(7,8)(9,10)(11,12)/rA:31cCCCONNCCCCCCCOCOCCCCCCClOCCCCCCCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s2;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18Cl2N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.0178
Area:715.038
Solvation:-5.85809
Coulombic:-48.1766
Bond Count [?]
All:33
Single:21
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:457.306
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.95
LogP (Chemaxon):5.82

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Descriptor Annotations

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