Chemical ID: 7432345

c1cc(ccc1C(=O)O)NC(=O)CSc2nnnn2c3ccc(cc3)Cl
Chemical ID:
7432345
Name [?]:
4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]aminobenzoic acid
SMILES [?]:
c1cc(ccc1C(=O)O)NC(=O)CSc2nnnn2c3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H12ClN5O3S/c17-11-3-7-13(8-4-11)22-16(19-20-21-22)26-9-14(23)18-12-5-1-10(2-6-12)15(24)25/h1-8H,9H2,(H,18,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,5,22,24,2,4,21,25,13,6,23,3,20,11,7,15,26,10,16,17,18,19,12,8,9,14/E:(1,2)(3,4)(5,6)(7,8)(24,25)/rA:26nCCCCCCCOONCOCSCNNNNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClN5O3S
All Atoms:38
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5529
Area:601.278
Solvation:-3.47903
Coulombic:-54.6485
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:389.817
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.04
LogP (Chemaxon):3.29

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