Chemical ID: 7244059

CCC(C)Nc1nc2ccccc2s1
Chemical ID:
7244059
Name [?]:
N-sec-butylbenzothiazol-2-amine
SMILES [?]:
CCC(C)Nc1nc2ccccc2s1
InChi [?]:
InChI=1/C11H14N2S/c1-3-8(2)12-11-13-9-6-4-5-7-10(9)14-11/h4-8H,3H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,4,2,10,11,9,12,3,8,13,6,5,7,14/rA:14cCCCCNCNCCCCCCS/rB:s1;s2;s3;s3;s5;d6;s7;s8;d9;s10;d11;d8s12;s6s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N2S
All Atoms:28
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:8.7677
Area:386.828
Solvation:-0.903001
Coulombic:-20.1517
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.308
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.82
LogP (Chemaxon):3.88

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Descriptor Annotations

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