Chemical ID: 3967753

C=CCN1CCC23c4c5ccc(c4OC2C(C=CC3C1C5)O)O
Chemical ID:
3967753
Name [?]:
None
SMILES [?]:
C=CCN1CCC23c4c5ccc(c4OC2C(C=CC3C1C5)O)O
InChi [?]:
InChI=1/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2
InChi Info:
AuxInfo=1/0/N:1,2,10,18,11,17,6,3,5,21,9,19,20,12,16,8,13,15,7,4,23,22,14/rA:23cCCCNCCCCCCCCCOCCCCCCCOO/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s7s14;s15;s16;d17;s7s18;s4s19;s9s20;s16;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:6
ZAP Information [?]
Total:21.7122
Area:0.0
Solvation:21.7122
Coulombic:0.0
Bond Count [?]
All:27
Single:22
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:311.375
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.37
LogP (Chemaxon):2.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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