Chemical ID: 6848595

CC[NH+](CC)CCCNc1c2ccc3ccccc3c2ncc1C(=O)OCC
Chemical ID:
6848595
Name [?]:
None
SMILES [?]:
CC[NH+](CC)CCCNc1c2ccc3ccccc3c2ncc1C(=O)OCC
InChi [?]:
InChI=1/C23H29N3O2/c1-4-26(5-2)15-9-14-24-22-19-13-12-17-10-7-8-11-18(17)21(19)25-16-20(22)23(27)28-6-3/h7-8,10-13,16H,4-6,9,14-15H2,1-3H3,(H,24,25)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,28,2,4,27,16,17,7,15,18,13,12,8,6,22,14,19,11,23,20,10,24,9,21,3,25,26/E:(1,2)(4,5)/rA:28nCCN+CCCCCNCCCCCCCCCCCNCCCOOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s20;d21;d10s22;s23;d24;s24;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N3O2+
All Atoms:58
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:-16.0336
Area:635.404
Solvation:-31.9187
Coulombic:-8.76581
Bond Count [?]
All:30
Single:22
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:380.503
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.88
LogP (Chemaxon):3.97

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Descriptor Annotations

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