Chemical ID: 7101126

CCC(CO)NCc1cccs1
Chemical ID:
7101126
Name [?]:
2-(2-thienylmethylamino)butan-1-ol
SMILES [?]:
CCC(CO)NCc1cccs1
InChi [?]:
InChI=1/C9H15NOS/c1-2-8(7-11)10-6-9-4-3-5-12-9/h3-5,8,10-11H,2,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,11,7,4,3,8,6,5,12/rA:12cCCCCONCCCCCS/rB:s1;s2;s3;s4;s3;s6;s7;d8;s9;d10;s8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H15NOS
All Atoms:27
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.59646
Area:372.105
Solvation:-2.70616
Coulombic:-26.203
Bond Count [?]
All:12
Single:10
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:185.288
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.71
LogP (Chemaxon):1.43

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Experimental Annotations

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Descriptor Annotations

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