Chemical ID: 5208705

c1cc(cnc1)C(=O)n2cc3c(n2)C4=C(CCCC4)CC3
Chemical ID:
5208705
Name [?]:
None
SMILES [?]:
c1cc(cnc1)C(=O)n2cc3c(n2)C4=C(CCCC4)CC3
InChi [?]:
InChI=1/C17H17N3O/c21-17(13-5-3-9-18-10-13)20-11-14-8-7-12-4-1-2-6-15(12)16(14)19-20/h3,5,9-11H,1-2,4,6-8H2
InChi Info:
AuxInfo=1/0/N:17,18,1,16,2,19,20,21,6,4,10,15,3,11,14,12,7,5,13,9,8/rA:21nCCCCNCCONCCCNCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s3;d7;s7;s9;d10;s11;s9d12;s12;d14;s15;s16;s17;s14s18;s15;s11s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.52167
Area:457.705
Solvation:-1.92095
Coulombic:-21.3908
Bond Count [?]
All:24
Single:17
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:279.336
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.17
LogP (Chemaxon):2.28

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Descriptor Annotations

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