Chemical ID: 7096550

c1ccc(cc1)CN2c3ccccc3C4(C2=O)OCCCO4
Chemical ID:
7096550
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CN2c3ccccc3C4(C2=O)OCCCO4
InChi [?]:
InChI=1/C18H17NO3/c20-17-18(21-11-6-12-22-18)15-9-4-5-10-16(15)19(17)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,20,3,5,13,10,19,21,7,4,14,9,16,15,8,17,18,22/E:(2,3)(7,8)(11,12)(21,22)/rA:22nCCCCCCCNCCCCCCCCOOCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s8s15;d16;s15;s18;s19;s20;s15s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO3
All Atoms:39
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.61893
Area:456.626
Solvation:-2.79671
Coulombic:-41.8002
Bond Count [?]
All:25
Single:18
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:295.333
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.35
LogP (Chemaxon):3.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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