Chemical ID: 4928166

Cc1c2c(n(n1)c3ccccc3)-c4ccccc4NC(=O)C2
Chemical ID:
4928166
Name [?]:
None
SMILES [?]:
Cc1c2c(n(n1)c3ccccc3)-c4ccccc4NC(=O)C2
InChi [?]:
InChI=1/C18H15N3O/c1-12-15-11-17(22)19-16-10-6-5-9-14(16)18(15)21(20-12)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,15,16,8,12,14,17,22,2,7,13,3,18,20,4,19,6,5,21/E:(3,4)(7,8)/rA:22nCCCCNNCCCCCCCCCCCCNCOC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s4;s13;d14;s15;d16;d13s17;s18;s19;d20;s3s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.64031
Area:455.093
Solvation:-2.73702
Coulombic:-25.6719
Bond Count [?]
All:25
Single:16
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:289.331
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.94
LogP (Chemaxon):2.75

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Descriptor Annotations

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