Chemical ID: 6046598

COc1ccc2c(c1)C3C(CC2)NCCO3
Chemical ID:
6046598
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)C3C(CC2)NCCO3
InChi [?]:
InChI=1/C13H17NO2/c1-15-10-4-2-9-3-5-12-13(11(9)8-10)16-7-6-14-12/h2,4,8,12-14H,3,5-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,12,4,11,14,15,8,6,3,7,10,9,13,2,16/rA:16cCOCCCCCCCCCCNCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s6s11;s10;s13;s14;s9s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:5.86611
Area:375.899
Solvation:-3.53137
Coulombic:-24.842
Bond Count [?]
All:18
Single:15
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:219.28
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.39
LogP (Chemaxon):1.5

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Descriptor Annotations

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