Chemical ID: 4793277

Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccccc5Cl
Chemical ID:
4793277
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccccc5Cl
InChi [?]:
InChI=1/C25H18ClNO3/c1-15-10-12-16(13-11-15)22-21-23(28)18-7-3-5-9-20(18)30-24(21)25(29)27(22)14-17-6-2-4-8-19(17)26/h2-13,22H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,14,27,15,25,13,28,16,3,7,4,6,23,2,5,24,12,29,17,9,8,10,19,20,30,22,11,21,18/E:(10,11)(12,13)/rA:30cCCCCCCCCCCOCCCCCCOCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H18ClNO3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.733
Area:588.309
Solvation:-2.97471
Coulombic:-38.5355
Bond Count [?]
All:34
Single:22
Double:12
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:415.868
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.19
LogP (Chemaxon):5.42

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Descriptor Annotations

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