Chemical ID: 6649952

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccc(cc3Cl)Cl
Chemical ID:
6649952
Name [?]:
[4-[(2,4-dichlorobenzoyl)aminoiminomethyl]phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C22H16Cl2N2O3/c1-14-2-6-16(7-3-14)22(28)29-18-9-4-15(5-10-18)13-25-26-21(27)19-11-8-17(23)12-20(19)24/h2-13H,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,3,7,13,15,4,6,24,12,16,23,26,17,2,14,5,25,11,22,27,20,8,29,28,18,19,21,9,10/E:(2,3)(4,5)(6,7)(9,10)/rA:29nCCCCCCCCOOCCCCCCCNNCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16Cl2N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.1183
Area:652.411
Solvation:-4.19201
Coulombic:-40.9111
Bond Count [?]
All:31
Single:19
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:427.28
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:7.18
LogP (Chemaxon):5.98

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Descriptor Annotations

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