Chemical ID: 7440192

c1ccc2cc(c(cc2c1)C(=O)NN=Cc3ccc4c(c3)non4)O
Chemical ID:
7440192
Name [?]:
3-hydroxy-N-(8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-4-ylmethyleneamino)naphthalene-2-carboxamide
SMILES [?]:
c1ccc2cc(c(cc2c1)C(=O)NN=Cc3ccc4c(c3)non4)O
InChi [?]:
InChI=1/C18H12N4O3/c23-17-9-13-4-2-1-3-12(13)8-14(17)18(24)20-19-10-11-5-6-15-16(7-11)22-25-21-15/h1-10,23H,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,17,18,21,8,5,15,16,9,4,7,19,20,6,11,14,13,24,22,25,12,23/rA:25nCCCCCCCCCCCONNCCCCCCCNONO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;d11;s11;s13;w14;s15;s16;d17;s18;s19;d16s20;d20;s22;d19s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12N4O3
All Atoms:37
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.08849
Area:539.153
Solvation:-5.39033
Coulombic:-37.4592
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:332.313
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.04
LogP (Chemaxon):4.24

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