Chemical ID: 6661773

CCCCCSc1cccc(c1)N
Chemical ID:
6661773
Name [?]:
3-pentylsulfanylaniline
SMILES [?]:
CCCCCSc1cccc(c1)N
InChi [?]:
InChI=1/C11H17NS/c1-2-3-4-8-13-11-7-5-6-10(12)9-11/h5-7,9H,2-4,8,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,9,10,8,5,12,11,7,13,6/rA:13nCCCCCSCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17NS
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:9.05714
Area:400.275
Solvation:-0.949732
Coulombic:-19.5344
Bond Count [?]
All:13
Single:10
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:195.325
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.8
LogP (Chemaxon):3.41

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Descriptor Annotations

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