Chemical ID: 4240124

c1cc(c(cc1Cl)C(=O)O)NC(=O)C2CCCO2
Chemical ID:
4240124
Name [?]:
5-chloro-2-tetrahydrofuran-2-ylcarbonylamino-benzoic acid
SMILES [?]:
c1cc(c(cc1Cl)C(=O)O)NC(=O)C2CCCO2
InChi [?]:
InChI=1/C12H12ClNO4/c13-7-3-4-9(8(6-7)12(16)17)14-11(15)10-2-1-5-18-10/h3-4,6,10H,1-2,5H2,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:16,15,1,2,17,5,6,4,3,14,12,8,7,11,13,9,10,18/E:(16,17)/rA:18cCCCCCCClCOONCOCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s3;s11;d12;s12;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12ClNO4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:6.97352
Area:440.627
Solvation:-4.04215
Coulombic:-56.2358
Bond Count [?]
All:19
Single:14
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:269.681
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.25
LogP (Chemaxon):2.3

Name Annotations

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Descriptor Annotations

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