Chemical ID: 6366046

c1cc(sc1)CNC(=O)CCCl
Chemical ID:
6366046
Name [?]:
3-chloro-N-(2-thienylmethyl)propanamide
SMILES [?]:
c1cc(sc1)CNC(=O)CCCl
InChi [?]:
InChI=1/C8H10ClNOS/c9-4-3-8(11)10-6-7-2-1-5-12-7/h1-2,5H,3-4,6H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,10,11,5,6,3,8,12,7,9,4/rA:12nCCCSCCNCOCCCl/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10ClNOS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.79797
Area:389.013
Solvation:-1.92736
Coulombic:-21.4536
Bond Count [?]
All:12
Single:9
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:203.69
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.08
LogP (Chemaxon):1.18

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