Chemical ID: 4933189

c1ccc(cc1)c2c(c3n(n2)-c4ccccc4C3CO)O
Chemical ID:
4933189
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2c(c3n(n2)-c4ccccc4C3CO)O
InChi [?]:
InChI=1/C17H14N2O2/c20-10-13-12-8-4-5-9-14(12)19-16(13)17(21)15(18-19)11-6-2-1-3-7-11/h1-9,13,20-21H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,3,5,16,13,19,4,17,18,12,7,9,8,11,10,20,21/E:(2,3)(6,7)/rA:21cCCCCCCCCCNNCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s9s17;s18;s19;s8;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.10478
Area:458.429
Solvation:-3.35596
Coulombic:-40.8138
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:278.305
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.76
LogP (Chemaxon):2.76

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Descriptor Annotations

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