Chemical ID: 4358837

c1ccc-2c(c1)-c3cccc4c3c2n[nH]c4=O
Chemical ID:
4358837
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)-c3cccc4c3c2n[nH]c4=O
InChi [?]:
InChI=1/C14H8N2O/c17-14-11-7-3-6-9-8-4-1-2-5-10(8)13(12(9)11)15-16-14/h1-7H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,9,6,3,8,10,5,7,4,11,12,13,16,14,15,17/rA:17nCCCCCCCCCCCCCNNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;d13;s14;s11s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.70347
Area:372.293
Solvation:-1.60386
Coulombic:-22.5183
Bond Count [?]
All:20
Single:12
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:220.226
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.75
LogP (Chemaxon):2.59

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Descriptor Annotations

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