Chemical ID: 4183352

c1cc2c(cc1CCNCc3ccc4c(c3)OCO4)OCO2
Chemical ID:
4183352
Name [?]:
2-benzo[1,3]dioxol-5-yl-N-(benzo[1,3]dioxol-5-ylmethyl)ethanamine
SMILES [?]:
c1cc2c(cc1CCNCc3ccc4c(c3)OCO4)OCO2
InChi [?]:
InChI=1/C17H17NO4/c1-3-14-16(21-10-19-14)7-12(1)5-6-18-9-13-2-4-15-17(8-13)22-11-20-15/h1-4,7-8,18H,5-6,9-11H2
InChi Info:
AuxInfo=1/0/N:1,12,2,13,7,8,5,16,10,21,18,6,11,3,14,4,15,9,22,19,20,17/rA:22nCCCCCCCCNCCCCCCCOCOOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;s4;s20;s3s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.26574
Area:510.435
Solvation:-4.49512
Coulombic:-42.393
Bond Count [?]
All:25
Single:19
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:299.321
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.92
LogP (Chemaxon):2.97

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Descriptor Annotations

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