Chemical ID: 4148857

c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)F
Chemical ID:
4148857
Name [?]:
2-(2-fluorobenzoyl)amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)F
InChi [?]:
InChI=1/C16H14FNO3S/c17-11-7-3-1-5-9(11)14(19)18-15-13(16(20)21)10-6-2-4-8-12(10)22-15/h1,3,5,7H,2,4,6,8H2,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,17,2,16,6,18,3,15,5,12,4,13,11,7,10,19,22,9,8,20,21,14/E:(20,21)/rA:22nCCCCCCCONCCCCSCCCCCOOF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;s10s13;s13;s15;s16;s12s17;s11;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14FNO3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.96094
Area:487.866
Solvation:-4.23572
Coulombic:-51.783
Bond Count [?]
All:24
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:319.352
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.13
LogP (Chemaxon):3.83

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