Chemical ID: 4690323

Cc1c2c(n3c(n1)c(cn3)C#N)N(CC2)Cc4ccco4
Chemical ID:
4690323
Name [?]:
None
SMILES [?]:
Cc1c2c(n3c(n1)c(cn3)C#N)N(CC2)Cc4ccco4
InChi [?]:
InChI=1/C15H13N5O/c1-10-13-4-5-19(9-12-3-2-6-21-12)15(13)20-14(18-10)11(7-16)8-17-20/h2-3,6,8H,4-5,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,15,14,20,11,9,16,2,8,17,3,6,4,12,10,7,13,5,21/rA:21cCCCCNCNCCNCNNCCCCCCCO/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s8;t11;s4;s13;s3s14;s13;s16;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N5O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.12972
Area:464.48
Solvation:-3.48228
Coulombic:-25.8155
Bond Count [?]
All:24
Single:17
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:279.297
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.97
LogP (Chemaxon):1.82

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Descriptor Annotations

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