Chemical ID: 7080786

c1ccc(cc1)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5cccc(c5)O
Chemical ID:
7080786
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5cccc(c5)O
InChi [?]:
InChI=1/C25H19NO4/c27-18-10-6-9-17(15-18)22-21-23(28)19-11-4-5-12-20(19)30-24(21)25(29)26(22)14-13-16-7-2-1-3-8-16/h1-12,15,22,27H,13-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,17,26,3,5,25,27,15,18,7,8,29,4,24,28,14,19,11,10,12,21,22,9,30,13,23,20/E:(2,3)(7,8)/rA:30cCCCCCCCCNCCCOCCCCCCOCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H19NO4
All Atoms:49
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.1424
Area:614.379
Solvation:-4.21706
Coulombic:-53.2596
Bond Count [?]
All:34
Single:22
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:397.423
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.88
LogP (Chemaxon):4.4

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Descriptor Annotations

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