Chemical ID: 6910489

C[NH+](C)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4ccc(cc4)OC
Chemical ID:
6910489
Name [?]:
None
SMILES [?]:
C[NH+](C)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4ccc(cc4)OC
InChi [?]:
InChI=1/C23H23ClN2O4/c1-25(2)11-4-12-26-20(14-5-8-16(29-3)9-6-14)19-21(27)17-13-15(24)7-10-18(17)30-22(19)23(26)28/h5-10,13,20H,4,11-12H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,30,5,24,28,15,25,27,16,4,6,13,23,14,26,12,17,9,8,10,19,20,22,2,7,11,21,29,18/E:(1,2)(5,6)(8,9)/rA:30cCN+CCCCNCCCOCCCCCCOCCOClCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s14;s8;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24ClN2O4+
All Atoms:54
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:-20.0771
Area:618.867
Solvation:-35.5487
Coulombic:-12.2896
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:427.9
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.17
LogP (Chemaxon):2.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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