Chemical ID: 6444823

COc1ccc2c(c1)c3c([nH]2)-c4nc5ccccc5c(=O)n4CC3
Chemical ID:
6444823
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)c3c([nH]2)-c4nc5ccccc5c(=O)n4CC3
InChi [?]:
InChI=1/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,4,5,24,23,8,3,9,19,7,14,6,10,12,20,11,13,22,21,2/rA:24nCOCCCCCCCCNCNCCCCCCCONCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;d12;s13;s14;d15;s16;d17;d14s18;s19;d20;s12s20;s22;s9s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.93791
Area:488.068
Solvation:-3.26379
Coulombic:-41.9433
Bond Count [?]
All:28
Single:19
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:317.341
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.64
LogP (Chemaxon):3.08

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Descriptor Annotations

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