Chemical ID: 7613810

Cc1cc2c(cc1Nc3ccccc3)C4(c5ccccc5C(=O)O4)c6ccc(cc6O2)N7CCCC7
Chemical ID:
7613810
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Nc3ccccc3)C4(c5ccccc5C(=O)O4)c6ccc(cc6O2)N7CCCC7
InChi [?]:
InChI=1/C31H26N2O3/c1-20-17-28-26(19-27(20)32-21-9-3-2-4-10-21)31(24-12-6-5-11-23(24)30(34)36-31)25-14-13-22(18-29(25)35-28)33-15-7-8-16-33/h2-6,9-14,17-19,32H,7-8,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,19,18,34,35,10,14,20,17,27,26,33,36,3,29,6,2,9,28,21,16,25,5,7,4,30,22,15,8,32,23,31,24/E:(3,4)(7,8)(9,10)(15,16)/rA:36cCCCCCCCNCCCCCCCCCCCCCCOOCCCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;d9s13;s5;s15;s16;d17;s18;d19;d16s20;s21;d22;s15s22;s15;s25;d26;s27;d28;d25s29;s4s30;s28;s32;s33;s34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H26N2O3
All Atoms:62
Heavy Atoms:36
Chiral Atoms:None
ZAP Information [?]
Total:12.5432
Area:656.125
Solvation:-3.85994
Coulombic:-47.9329
Bond Count [?]
All:42
Single:29
Double:13
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:6.8
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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