Chemical ID: 4581510

Cc1cc(=O)oc2c1ccc3c2CN(CO3)Cc4cccc(c4)Cl
Chemical ID:
4581510
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1ccc3c2CN(CO3)Cc4cccc(c4)Cl
InChi [?]:
InChI=1/C19H16ClNO3/c1-12-7-18(22)24-19-15(12)5-6-17-16(19)10-21(11-23-17)9-13-3-2-4-14(20)8-13/h2-8H,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,9,10,3,23,17,13,15,2,18,22,8,12,11,4,7,24,14,5,16,6/rA:24cCCCCOOCCCCCCCNCOCCCCCCCCl/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16ClNO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.43341
Area:529.093
Solvation:-3.79391
Coulombic:-32.6749
Bond Count [?]
All:27
Single:19
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:341.788
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.05
LogP (Chemaxon):4.7

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Experimental Annotations

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Descriptor Annotations

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