Chemical ID: 5094531

CC1(C=Cc2c(c3ccccc3nc2O)O1)C
Chemical ID:
5094531
Name [?]:
None
SMILES [?]:
CC1(C=Cc2c(c3ccccc3nc2O)O1)C
InChi [?]:
InChI=1/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,9,10,8,11,4,3,7,5,12,6,14,2,13,15,16/E:(1,2)/rA:17nCCCCCCCCCCCCNCOOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;d5s13;s14;s2s6;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.23464
Area:382.542
Solvation:-2.32891
Coulombic:-32.0677
Bond Count [?]
All:19
Single:13
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:227.259
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.29
LogP (Chemaxon):3.05

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Descriptor Annotations

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