Chemical ID: 6424064

COc1c2ccnc3c2c(c(c1OC)OC)-c4ccccc4C3=O
Chemical ID:
6424064
Name [?]:
None
SMILES [?]:
COc1c2ccnc3c2c(c(c1OC)OC)-c4ccccc4C3=O
InChi [?]:
InChI=1/C19H15NO4/c1-22-17-12-8-9-20-15-13(12)14(18(23-2)19(17)24-3)10-6-4-5-7-11(10)16(15)21/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,14,19,20,18,21,5,6,17,22,4,9,10,8,23,3,11,12,7,24,2,15,13/rA:24nCOCCCCNCCCCCOCOCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;d3s11;s12;s13;s11;s15;s10;s17;d18;s19;d20;d17s21;s8s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.95572
Area:467.478
Solvation:-4.73123
Coulombic:-38.0561
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.327
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.94
LogP (Chemaxon):2.24

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