Chemical ID: 4767663

c1ccc(cc1)C2Cn3c(nnn3)-c4ccccc4O2
Chemical ID:
4767663
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2Cn3c(nnn3)-c4ccccc4O2
InChi [?]:
InChI=1/C15H12N4O/c1-2-6-11(7-3-1)14-10-19-15(16-17-18-19)12-8-4-5-9-13(12)20-14/h1-9,14H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,17,3,5,15,18,8,4,14,19,7,10,11,12,13,9,20/E:(2,3)(6,7)/rA:20cCCCCCCCCNCNNNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s9d12;s10;s14;d15;s16;d17;d14s18;s7s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N4O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.04131
Area:433.708
Solvation:-1.80139
Coulombic:-16.8576
Bond Count [?]
All:23
Single:15
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:264.282
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.49
LogP (Chemaxon):2.96

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Descriptor Annotations

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