Chemical ID: 4899478

CCc1ccc(cc1)C2C3C(C(=O)N(C3=O)c4ccc5c(c4)OCO5)C6(O2)C(=O)c7ccccc7C6=O
Chemical ID:
4899478
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2C3C(C(=O)N(C3=O)c4ccc5c(c4)OCO5)C6(O2)C(=O)c7ccccc7C6=O
InChi [?]:
InChI=1/C29H21NO7/c1-2-15-7-9-16(10-8-15)24-22-23(29(37-24)25(31)18-5-3-4-6-19(18)26(29)32)28(34)30(27(22)33)17-11-12-20-21(13-17)36-14-35-20/h3-13,22-24H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,32,33,31,34,4,8,5,7,18,19,22,24,3,6,17,30,35,20,21,10,11,9,28,36,15,12,26,14,29,37,16,13,25,23,27/E:(3,4)(5,6)(7,8)(9,10)(18,19)(25,26)(31,32)/rA:37cCCCCCCCCCCCCONCOCCCCCCOCOCOCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s12;s10s14;d15;s14;s17;d18;s19;d20;d17s21;s21;s23;s20s24;s11;s9s26;s26;d28;s28;s30;d31;s32;d33;d30s34;s26s35;d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H21NO7
All Atoms:37
Heavy Atoms:37
Chiral Atoms:3
ZAP Information [?]
Total:11.4524
Area:688.975
Solvation:-5.772
Coulombic:-65.477
Bond Count [?]
All:43
Single:30
Double:13
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:495.48
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.13
LogP (Chemaxon):3.3

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Descriptor Annotations

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