Chemical ID: 4702119

c1ccc2c(c1)C3c4ccccc4C2C5C3C(=O)N(C5=O)OCc6ccc(cc6)Cl
Chemical ID:
4702119
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3c4ccccc4C2C5C3C(=O)N(C5=O)OCc6ccc(cc6)Cl
InChi [?]:
InChI=1/C25H18ClNO3/c26-15-11-9-14(10-12-15)13-30-27-24(28)22-20-16-5-1-2-6-17(16)21(23(22)25(27)29)19-8-4-3-7-18(19)20/h1-12,20-23H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,10,11,6,3,9,12,25,29,26,28,23,24,27,5,4,8,13,7,14,16,15,17,20,30,19,18,21,22/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(16,17,18,19)(20,21)(22,23)(24,25)(28,29)/rA:30cCCCCCCCCCCCCCCCCCONCOOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s14;s7s15;s16;d17;s17;s15s19;d20;s19;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H18ClNO3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:11.1429
Area:615.643
Solvation:-4.24815
Coulombic:-27.0465
Bond Count [?]
All:35
Single:24
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:415.868
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.82
LogP (Chemaxon):5.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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