Chemical ID: 6621330

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccccc2Cl)Oc3ccc(cc3)Cl
Chemical ID:
6621330
Name [?]:
[4-[2-(4-chlorophenoxy)propanoylaminoiminomethyl]phenyl] 2-chlorobenzoate
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccccc2Cl)Oc3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H18Cl2N2O4/c1-15(30-18-12-8-17(24)9-13-18)22(28)27-26-14-16-6-10-19(11-7-16)31-23(29)20-4-2-3-5-21(20)25/h2-15H,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,9,13,27,29,10,12,26,30,7,2,8,28,25,11,17,22,3,15,31,23,6,5,4,16,24,14/E:(6,7)(8,9)(10,11)(12,13)/rA:31cCCCONNCCCCCCCOCOCCCCCCClOCCCCCCCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;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:11.5124
Area:701.904
Solvation:-6.03518
Coulombic:-47.9323
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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