Chemical ID: 5187020

Cc1c2c(c(cn1)CO)C=C3CCCC=C3O2
Chemical ID:
5187020
Name [?]:
None
SMILES [?]:
Cc1c2c(c(cn1)CO)C=C3CCCC=C3O2
InChi [?]:
InChI=1/C14H15NO2/c1-9-14-12(11(8-16)7-15-9)6-10-4-2-3-5-13(10)17-14/h5-7,16H,2-4,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,10,6,8,2,11,5,4,16,3,7,9,17/rA:17nCCCCCCNCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s4;d10;s11;s12;s13;s14;s11d15;s3s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.02506
Area:393.524
Solvation:-2.81304
Coulombic:-29.7141
Bond Count [?]
All:19
Single:14
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:229.274
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.32
LogP (Chemaxon):1.14

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Descriptor Annotations

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