Chemical ID: 4559166

Cc1cc(=O)oc2c1ccc(c2)OC(=O)c3ccc(cc3)NC(=N)N
Chemical ID:
4559166
Name [?]:
(4-methyl-2-oxo-chromen-7-yl) 4-guanidinobenzoate
SMILES [?]:
Cc1cc(=O)oc2c1ccc(c2)OC(=O)c3ccc(cc3)NC(=N)N
InChi [?]:
InChI=1/C18H15N3O4/c1-10-8-16(22)25-15-9-13(6-7-14(10)15)24-17(23)11-2-4-12(5-3-11)21-18(19)20/h2-9H,1H3,(H4,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,17,21,18,20,10,9,3,12,2,16,19,11,8,7,4,14,23,24,25,22,5,15,13,6/E:(2,3)(4,5)(19,20)/rA:25nCCCCOOCCCCCCOCOCCCCCCNCNN/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;w23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.86409
Area:545.711
Solvation:-3.7787
Coulombic:-76.9691
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:337.33
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:2.99
LogP (Chemaxon):3.21

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Descriptor Annotations

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