Chemical ID: 4506496

c1cc(ccc1CNc2ccc3cn[nH]c3c2)O
Chemical ID:
4506496
Name [?]:
4-(1H-indazol-6-ylaminomethyl)phenol
SMILES [?]:
c1cc(ccc1CNc2ccc3cn[nH]c3c2)O
InChi [?]:
InChI=1/C14H13N3O/c18-13-5-1-10(2-6-13)8-15-12-4-3-11-9-16-17-14(11)7-12/h1-7,9,15,18H,8H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,11,10,2,4,17,7,13,6,12,9,3,16,8,14,15,18/E:(1,2)(5,6)/rA:18nCCCCCCCNCCCCCNNCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;s12;d13;s14;d12s15;d9s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N3O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.70928
Area:432.194
Solvation:-3.09557
Coulombic:-37.5682
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:239.273
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.1
LogP (Chemaxon):2.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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