Chemical ID: 4862793

c1ccc2c(c1)-c3nc4ccccc4n3C(N2)c5ccco5
Chemical ID:
4862793
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3nc4ccccc4n3C(N2)c5ccco5
InChi [?]:
InChI=1/C18H13N3O/c1-2-7-13-12(6-1)17-20-14-8-3-4-9-15(14)21(17)18(19-13)16-10-5-11-22-16/h1-11,18-19H
InChi Info:
AuxInfo=1/0/N:1,2,11,12,20,6,3,10,13,19,21,5,4,9,14,18,7,16,17,8,15,22/rA:22cCCCCCCCNCCCCCCNCNCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s15;s4s16;s16;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13N3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.1066
Area:449.802
Solvation:-3.13844
Coulombic:-32.9338
Bond Count [?]
All:26
Single:17
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:287.315
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.66
LogP (Chemaxon):4.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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