Chemical ID: 6204195

CC(=O)NC1=NC2(C(c3ccccc3C2(N1)O)O)O
Chemical ID:
6204195
Name [?]:
None
SMILES [?]:
CC(=O)NC1=NC2(C(c3ccccc3C2(N1)O)O)O
InChi [?]:
InChI=1/C12H13N3O4/c1-6(16)13-10-14-11(18)8-5-3-2-4-7(8)9(17)12(11,19)15-10/h2-5,9,17-19H,1H3,(H2,13,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,11,12,10,13,2,9,14,8,5,15,7,4,16,6,3,18,17,19/rA:19cCCONCNCCCCCCCCCNOOO/rB:s1;d2;s2;s4;d5;s6;s7;s8;s9;d10;s11;d12;d9s13;s7s14;s5s15;s15;s8;s7;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N3O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:4.35394
Area:422.005
Solvation:-6.19619
Coulombic:-89.2262
Bond Count [?]
All:21
Single:16
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:263.249
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:-0.65
LogP (Chemaxon):1.59

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Descriptor Annotations

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