Chemical ID: 6174168

c1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(=O)Nc3ccccc3Cl
Chemical ID:
6174168
Name [?]:
[4-[[(2-chlorophenyl)carbamoylformyl]aminoiminomethyl]phenyl] benzoate
SMILES [?]:
c1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C22H16ClN3O4/c23-18-8-4-5-9-19(18)25-20(27)21(28)26-24-14-15-10-12-17(13-11-15)30-22(29)16-6-2-1-3-7-16/h1-14H,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,27,26,3,5,28,25,12,14,11,15,16,13,4,10,29,24,21,19,7,30,17,23,18,22,20,8,9/E:(2,3)(6,7)(10,11)(12,13)/rA:30nCCCCCCCOOCCCCCCCNNCOCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16ClN3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.8867
Area:657.503
Solvation:-3.55085
Coulombic:-66.6508
Bond Count [?]
All:32
Single:19
Double:13
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:421.833
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.15
LogP (Chemaxon):4.08

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Descriptor Annotations

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