Chemical ID: 5268118

c1ccc(cc1)C=CC2C3C(C(=O)N(C3=O)c4ccc(cc4)Cl)C5(O2)C(=O)c6ccccc6C5=O
Chemical ID:
5268118
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C=CC2C3C(C(=O)N(C3=O)c4ccc(cc4)Cl)C5(O2)C(=O)c6ccccc6C5=O
InChi [?]:
InChI=1/C28H18ClNO5/c29-17-11-13-18(14-12-17)30-26(33)22-21(15-10-16-6-2-1-3-7-16)35-28(23(22)27(30)34)24(31)19-8-4-5-9-20(19)25(28)32/h1-15,21-23H
InChi Info:
AuxInfo=1/0/N:1,2,6,30,31,3,5,29,32,7,19,21,18,22,8,4,20,17,28,33,9,10,11,26,34,15,12,24,23,14,27,35,16,13,25/E:(2,3)(4,5)(6,7)(8,9)(11,12)(13,14)(19,20)(24,25)(31,32)/rA:35cCCCCCCCCCCCCONCOCCCCCCClCOCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;s10;s11;d12;s12;s10s14;d15;s14;s17;d18;s19;d20;d17s21;s20;s11;s9s24;s24;d26;s26;s28;d29;s30;d31;d28s32;s24s33;d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H18ClNO5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:3
ZAP Information [?]
Total:12.0748
Area:683.31
Solvation:-5.00796
Coulombic:-51.3118
Bond Count [?]
All:40
Single:26
Double:14
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:483.899
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.7
LogP (Chemaxon):3.8

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