Chemical ID: 5571940

CC1=NCCNc2c1c(=O)n(c3c2cccc3)C
Chemical ID:
5571940
Name [?]:
None
SMILES [?]:
CC1=NCCNc2c1c(=O)n(c3c2cccc3)C
InChi [?]:
InChI=1/C14H15N3O/c1-9-12-13(16-8-7-15-9)10-5-3-4-6-11(10)17(2)14(12)18/h3-6,16H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,15,16,14,17,4,5,2,13,12,8,7,9,3,6,11,10/rA:18nCCNCCNCCCONCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s2d7;s8;d9;s9;s11;s7s12;d13;s14;d15;d12s16;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15N3O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.62046
Area:394.061
Solvation:-2.23108
Coulombic:-33.5558
Bond Count [?]
All:20
Single:14
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:241.289
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.11
LogP (Chemaxon):1.31

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Descriptor Annotations

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