Chemical ID: 5238321

CC(C)c1c(c2cc3c(cc2nn1)c4ccccc4o3)N
Chemical ID:
5238321
Name [?]:
None
SMILES [?]:
CC(C)c1c(c2cc3c(cc2nn1)c4ccccc4o3)N
InChi [?]:
InChI=1/C17H15N3O/c1-9(2)17-16(18)12-8-15-11(7-13(12)19-20-17)10-5-3-4-6-14(10)21-15/h3-9H,1-2H3,(H2,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,15,18,10,7,2,14,9,6,11,19,8,5,4,21,12,13,20/E:(1,2)/rA:21nCCCCCCCCCCCNNCCCCCCON/rB:s1;s2;s2;s4;d5;s6;d7;s8;d9;s6s10;d11;d4s12;s9;s14;d15;s16;d17;d14s18;s8s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.11855
Area:455.084
Solvation:-2.25854
Coulombic:-28.7919
Bond Count [?]
All:24
Single:16
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:277.321
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.74
LogP (Chemaxon):3.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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