Chemical ID: 7245444

CNCc1nc2ccccc2s1
Chemical ID:
7245444
Name [?]:
N-(benzothiazol-2-ylmethyl)methanamine
SMILES [?]:
CNCc1nc2ccccc2s1
InChi [?]:
InChI=1/C9H10N2S/c1-10-6-9-11-7-4-2-3-5-8(7)12-9/h2-5,10H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,3,6,11,4,2,5,12/rA:12nCNCCNCCCCCCS/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s4s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2S
All Atoms:22
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.1793
Area:343.558
Solvation:-1.40965
Coulombic:-15.6336
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:178.255
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.08
LogP (Chemaxon):1.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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