Chemical ID: 4605607

CCN(CC)c1ccc2c(c1)Oc3ccc4ccccc4c3C25c6ccccc6C(=O)O5
Chemical ID:
4605607
Name [?]:
None
SMILES [?]:
CCN(CC)c1ccc2c(c1)Oc3ccc4ccccc4c3C25c6ccccc6C(=O)O5
InChi [?]:
InChI=1/C28H23NO3/c1-3-29(4-2)19-14-15-23-25(17-19)31-24-16-13-18-9-5-6-10-20(18)26(24)28(23)22-12-8-7-11-21(22)27(30)32-28/h5-17H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,18,19,27,26,17,20,28,25,15,7,8,14,11,16,6,21,29,24,9,13,10,22,30,23,3,31,12,32/E:(1,2)(3,4)/rA:32cCCNCCCCCCCCOCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s10;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;s9s22;s23;s24;d25;s26;d27;d24s28;s29;d30;s23s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H23NO3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.7362
Area:598.087
Solvation:-3.216
Coulombic:-37.577
Bond Count [?]
All:37
Single:25
Double:12
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:421.487
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.97
LogP (Chemaxon):6.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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