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Chemical ID: 4735740
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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