Chemical ID: 4559877

CC1(Cc2c(cc3c(n2)nc([nH]3)O)CO1)C
Chemical ID:
4559877
Name [?]:
None
SMILES [?]:
CC1(Cc2c(cc3c(n2)nc([nH]3)O)CO1)C
InChi [?]:
InChI=1/C11H13N3O2/c1-11(2)4-8-6(5-16-11)3-7-9(12-8)14-10(15)13-7/h3H,4-5H2,1-2H3,(H2,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,6,3,14,5,7,4,8,11,2,9,12,10,13,15/E:(1,2)/rA:16nCCCCCCCCNNCNOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s7s11;s11;s5;s2s14;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N3O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.89528
Area:370.327
Solvation:-3.36289
Coulombic:-47.358
Bond Count [?]
All:18
Single:14
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:219.24
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.4
LogP (Chemaxon):1.62

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Descriptor Annotations

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