Chemical ID: 4621046

CC1(Cc2c(n3c(c2C#N)nc(cn3)c4ccccc4)CO1)C
Chemical ID:
4621046
Name [?]:
None
SMILES [?]:
CC1(Cc2c(n3c(c2C#N)nc(cn3)c4ccccc4)CO1)C
InChi [?]:
InChI=1/C18H16N4O/c1-18(2)8-13-14(9-19)17-21-15(12-6-4-3-5-7-12)10-20-22(17)16(13)11-23-18/h3-7,10H,8,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,18,17,19,16,20,3,9,13,21,15,4,8,12,5,7,2,10,14,11,6,22/E:(1,2)(4,5)(6,7)/rA:23nCCCCCNCCCNNCCNCCCCCCCOC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;t9;s7;d11;s12;s6d13;s12;s15;d16;s17;d18;d15s19;s5;s2s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N4O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.29145
Area:496.962
Solvation:-3.13261
Coulombic:-22.8763
Bond Count [?]
All:26
Single:18
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:304.346
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.17
LogP (Chemaxon):2.8

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Descriptor Annotations

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