Chemical ID: 4735740

c1cc2c(cc1Cl)c(cs2)CN
Chemical ID:
4735740
Name [?]:
(5-chlorobenzothiophen-3-yl)methanamine
SMILES [?]:
c1cc2c(cc1Cl)c(cs2)CN
InChi [?]:
InChI=1/C9H8ClNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2
InChi Info:
AuxInfo=1/0/N:1,2,5,11,9,8,6,4,3,7,12,10/rA:12nCCCCCCClCCSCN/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s3s9;s8;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8ClNS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.71731
Area:352.49
Solvation:-1.09493
Coulombic:-14.2203
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:197.685
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.46
LogP (Chemaxon):2.73

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Experimental Annotations

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Descriptor Annotations

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